Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/ | Furan- (C4H4O-)
|
Energy
(eV)
-229.99872
Description
D0
Multiplicity
2
Symmetry
-
Rotational Constants
(cm-1)
0.30064 b
0.28740 c
0.14863
Vibration Analisys
Harmonic:
link
Anharmonic:
None
#
Frequency
(cm-1)
IR Intesity
(km/mol)
Symmetry
More...
Eigenvectors
#
X
Y
Z
1
0.070
0.050
0.020
2
-0.140
-0.030
0.000
3
0.070
0.050
-0.020
4
-0.030
-0.010
0.020
5
-0.030
-0.010
-0.020
6
0.620
-0.300
-0.090
7
0.620
-0.300
0.090
8
-0.050
-0.040
0.040
9
-0.050
-0.040
-0.040
Eigenvectors
#
X
Y
Z
1
0.280
-0.130
-0.040
2
-0.220
0.100
0.000
3
0.280
-0.130
0.040
4
-0.090
0.030
-0.040
5
-0.090
0.030
0.040
6
-0.460
0.310
0.140
7
-0.460
0.310
-0.140
8
-0.120
0.110
-0.090
9
-0.120
0.110
0.090
Eigenvectors
#
X
Y
Z
1
0.070
0.030
0.020
2
0.000
0.000
-0.020
3
-0.070
-0.030
0.020
4
0.210
-0.010
0.010
5
-0.210
0.010
0.010
6
0.540
-0.230
-0.200
7
-0.540
0.230
-0.200
8
0.240
-0.020
0.010
9
-0.240
0.020
0.010
Eigenvectors
#
X
Y
Z
1
0.010
-0.010
0.010
2
0.020
0.020
0.000
3
0.010
-0.010
-0.010
4
-0.080
0.000
-0.020
5
-0.080
0.000
0.020
6
0.050
0.010
-0.120
7
0.050
0.010
0.120
8
0.680
0.010
-0.090
9
0.680
0.010
0.090
Eigenvectors
#
X
Y
Z
1
0.170
-0.110
-0.040
2
0.000
0.000
0.100
3
-0.170
0.110
-0.040
4
0.110
-0.030
-0.040
5
-0.110
0.030
-0.040
6
-0.530
0.290
0.170
7
0.530
-0.290
0.170
8
0.170
-0.100
0.010
9
-0.170
0.100
0.010
Eigenvectors
#
X
Y
Z
1
0.030
0.040
0.010
2
0.000
0.000
-0.060
3
-0.030
-0.040
0.010
4
-0.070
0.000
0.030
5
0.070
0.000
0.030
6
-0.030
0.050
0.090
7
0.030
-0.050
0.090
8
0.680
0.070
-0.080
9
-0.680
-0.070
-0.080
Eigenvectors
#
X
Y
Z
1
-0.060
-0.120
-0.020
2
0.000
0.000
0.270
3
0.060
0.120
-0.020
4
-0.090
0.040
-0.130
5
0.090
-0.040
-0.130
6
0.280
-0.220
-0.340
7
-0.280
0.220
-0.340
8
0.380
-0.160
-0.020
9
-0.380
0.160
-0.020
Eigenvectors
#
X
Y
Z
1
0.020
-0.060
-0.130
2
0.000
-0.190
0.000
3
0.020
-0.060
0.130
4
-0.030
0.200
0.290
5
-0.030
0.200
-0.290
6
-0.110
-0.140
0.210
7
-0.110
-0.140
-0.210
8
0.250
-0.060
0.450
9
0.250
-0.060
-0.450
Eigenvectors
#
X
Y
Z
1
0.020
0.220
-0.090
2
0.000
0.000
0.200
3
-0.020
-0.220
-0.090
4
0.020
0.010
0.000
5
-0.020
-0.010
0.000
6
-0.050
0.350
-0.240
7
0.050
-0.350
-0.240
8
-0.070
0.390
-0.280
9
0.070
-0.390
-0.280
Eigenvectors
#
X
Y
Z
1
0.050
0.150
0.070
2
-0.010
-0.090
0.000
3
0.050
0.150
-0.070
4
-0.040
-0.070
0.000
5
-0.040
-0.070
0.000
6
-0.210
0.180
0.420
7
-0.210
0.180
-0.420
8
0.110
-0.380
0.220
9
0.110
-0.380
-0.220
Eigenvectors
#
X
Y
Z
1
-0.010
-0.060
0.050
2
0.000
0.000
0.000
3
0.010
0.060
0.050
4
0.020
0.050
-0.030
5
-0.020
-0.050
-0.030
6
0.000
-0.170
0.230
7
0.000
0.170
0.230
8
-0.040
0.520
-0.370
9
0.040
-0.520
-0.370
Eigenvectors
#
X
Y
Z
1
-0.030
-0.130
0.200
2
0.020
0.250
0.000
3
-0.030
-0.130
-0.200
4
0.000
0.020
0.090
5
0.000
0.020
-0.090
6
0.080
-0.230
0.290
7
0.080
-0.230
-0.290
8
0.010
-0.360
0.360
9
0.010
-0.360
-0.360
Eigenvectors
#
X
Y
Z
1
-0.010
0.120
0.080
2
0.000
0.000
0.050
3
0.010
-0.120
0.080
4
0.000
-0.110
-0.160
5
0.000
0.110
-0.160
6
0.060
-0.150
0.570
7
-0.060
0.150
0.570
8
-0.010
-0.280
-0.060
9
0.010
0.280
-0.060
Eigenvectors
#
X
Y
Z
1
-0.010
0.010
-0.060
2
0.030
0.050
0.000
3
-0.010
0.010
0.060
4
-0.020
-0.050
0.010
5
-0.020
-0.050
-0.010
6
0.020
-0.300
0.530
7
0.020
-0.300
-0.530
8
0.040
0.260
-0.220
9
0.040
0.260
0.220
Eigenvectors
#
X
Y
Z
1
0.020
0.000
0.190
2
0.000
0.000
-0.070
3
-0.020
0.000
0.190
4
-0.010
-0.010
-0.090
5
0.010
0.010
-0.090
6
-0.060
0.420
-0.510
7
0.060
-0.420
-0.510
8
-0.030
0.010
-0.120
9
0.030
-0.010
-0.120
Eigenvectors
#
X
Y
Z
1
0.010
0.030
0.130
2
-0.020
-0.010
0.000
3
0.010
0.030
-0.130
4
0.000
-0.090
0.180
5
0.000
-0.090
-0.180
6
-0.050
0.260
-0.160
7
-0.050
0.260
0.160
8
0.000
0.520
-0.260
9
0.000
0.520
0.260
Eigenvectors
#
X
Y
Z
1
0.020
0.090
0.040
2
0.000
0.000
-0.010
3
-0.020
-0.090
0.040
4
0.040
0.400
-0.090
5
-0.040
-0.400
-0.090
6
-0.080
0.060
0.280
7
0.080
-0.060
0.280
8
0.010
-0.240
0.420
9
-0.010
0.240
0.420
Eigenvectors
#
X
Y
Z
1
-0.030
-0.040
-0.030
2
0.000
0.000
0.000
3
-0.030
-0.040
0.030
4
0.000
0.010
0.000
5
0.000
0.010
0.000
6
0.390
0.520
0.260
7
0.390
0.520
-0.260
8
0.000
-0.040
-0.050
9
0.000
-0.040
0.050
Eigenvectors
#
X
Y
Z
1
-0.030
-0.050
-0.020
2
0.000
0.000
0.000
3
0.030
0.050
-0.020
4
0.000
0.000
0.000
5
0.000
0.000
0.000
6
0.390
0.520
0.260
7
-0.390
-0.520
0.260
8
0.010
0.040
0.050
9
-0.010
-0.040
0.050
Eigenvectors
#
X
Y
Z
1
0.000
0.000
0.000
2
0.000
0.000
0.000
3
0.000
0.000
0.000
4
0.000
-0.030
-0.050
5
0.000
-0.030
0.050
6
0.040
0.040
0.020
7
0.040
0.040
-0.020
8
0.040
0.410
0.570
9
0.040
0.410
-0.570
Eigenvectors
#
X
Y
Z
1
0.000
0.010
0.010
2
0.000
0.000
0.000
3
0.000
-0.010
0.010
4
0.000
-0.040
-0.050
5
0.000
0.040
-0.050
6
-0.030
-0.050
-0.030
7
0.030
0.050
-0.030
8
0.040
0.420
0.560
9
-0.040
-0.420
0.560