Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/ | Furan- (C4H4O-)
|
Energy
(eV)
-229.99908
Description
D0
Multiplicity
2
Symmetry
-
Rotational Constants
(cm-1)
0.30052 b
0.28844 c
0.14870
Vibration Analisys
Harmonic:
link
Anharmonic:
None
#
Frequency
(cm-1)
IR Intesity
(km/mol)
Symmetry
More...
Eigenvectors
#
X
Y
Z
1
-0.040
0.010
-0.210
2
0.000
0.000
0.270
3
0.040
0.010
-0.210
4
0.000
0.000
0.080
5
0.000
0.000
0.080
6
0.160
-0.050
-0.610
7
-0.160
-0.050
-0.610
8
0.000
0.000
0.080
9
0.000
0.000
0.080
Eigenvectors
#
X
Y
Z
1
-0.070
0.030
0.080
2
0.050
0.000
0.000
3
-0.070
-0.030
-0.080
4
0.010
0.020
-0.030
5
0.010
-0.020
0.030
6
0.240
-0.120
-0.630
7
0.240
0.120
0.630
8
0.070
0.060
-0.090
9
0.070
-0.060
0.090
Eigenvectors
#
X
Y
Z
1
-0.050
-0.010
0.260
2
0.050
0.000
0.000
3
-0.050
0.010
-0.260
4
0.010
0.020
0.420
5
0.010
-0.020
-0.420
6
0.010
0.140
0.240
7
0.010
-0.140
-0.240
8
0.060
0.060
0.410
9
0.060
-0.060
-0.410
Eigenvectors
#
X
Y
Z
1
0.020
-0.010
-0.040
2
0.000
0.020
0.040
3
-0.020
-0.010
-0.040
4
0.010
-0.010
-0.060
5
-0.010
-0.010
-0.060
6
-0.050
0.150
0.230
7
0.050
0.150
0.230
8
-0.010
-0.030
0.650
9
0.010
-0.030
0.650
Eigenvectors
#
X
Y
Z
1
0.090
-0.040
-0.120
2
0.000
0.130
0.030
3
-0.090
-0.040
-0.120
4
0.010
-0.060
0.080
5
-0.010
-0.060
0.080
6
-0.210
0.060
0.540
7
0.210
0.060
0.540
8
0.110
0.020
-0.320
9
-0.110
0.020
-0.320
Eigenvectors
#
X
Y
Z
1
0.000
-0.010
0.030
2
0.000
0.000
0.000
3
0.000
0.010
-0.030
4
0.000
-0.020
-0.070
5
0.000
0.020
0.070
6
0.010
-0.070
-0.030
7
0.010
0.070
0.030
8
-0.050
-0.070
0.690
9
-0.050
0.070
-0.690
Eigenvectors
#
X
Y
Z
1
0.130
-0.020
0.080
2
0.000
0.240
-0.010
3
-0.130
-0.020
0.080
4
-0.030
-0.120
-0.040
5
0.030
-0.120
-0.040
6
0.250
-0.360
-0.430
7
-0.250
-0.360
-0.430
8
0.190
0.040
0.130
9
-0.190
0.040
0.130
Eigenvectors
#
X
Y
Z
1
0.050
-0.140
-0.030
2
0.200
0.000
0.000
3
0.050
0.140
0.030
4
-0.200
0.290
-0.040
5
-0.200
-0.290
0.040
6
0.160
0.230
0.100
7
0.160
-0.230
-0.100
8
0.060
0.470
0.160
9
0.060
-0.470
-0.160
Eigenvectors
#
X
Y
Z
1
-0.210
-0.090
0.010
2
0.000
0.200
-0.010
3
0.210
-0.090
0.010
4
-0.020
0.000
-0.010
5
0.020
0.000
-0.010
6
-0.330
-0.300
0.040
7
0.330
-0.300
0.040
8
-0.380
-0.270
0.040
9
0.380
-0.270
0.040
Eigenvectors
#
X
Y
Z
1
0.160
-0.080
0.040
2
-0.100
0.000
0.000
3
0.160
0.080
-0.040
4
-0.080
0.000
0.040
5
-0.080
0.000
-0.040
6
0.170
-0.400
-0.230
7
0.170
0.400
0.230
8
-0.390
-0.230
-0.090
9
-0.390
0.230
0.090
Eigenvectors
#
X
Y
Z
1
-0.050
-0.050
0.000
2
0.000
-0.010
0.010
3
0.050
-0.050
0.000
4
0.040
0.050
-0.010
5
-0.040
0.050
-0.010
6
-0.180
-0.280
0.020
7
0.180
-0.280
0.020
8
0.480
0.370
0.070
9
-0.480
0.370
0.070
Eigenvectors
#
X
Y
Z
1
-0.120
-0.170
-0.020
2
0.240
0.000
0.000
3
-0.120
0.170
0.020
4
0.010
-0.070
0.000
5
0.010
0.070
0.000
6
-0.240
-0.340
0.090
7
-0.240
0.340
-0.090
8
-0.340
-0.330
-0.120
9
-0.340
0.330
0.120
Eigenvectors
#
X
Y
Z
1
-0.140
0.070
0.020
2
0.000
0.060
-0.020
3
0.140
0.070
0.020
4
0.120
-0.150
0.000
5
-0.120
-0.150
0.000
6
0.110
0.540
-0.060
7
-0.110
0.540
-0.060
8
0.360
0.000
-0.060
9
-0.360
0.000
-0.060
Eigenvectors
#
X
Y
Z
1
-0.020
-0.060
0.010
2
-0.040
0.000
0.000
3
-0.020
0.060
-0.010
4
0.050
0.020
-0.010
5
0.050
-0.020
0.010
6
0.280
0.530
-0.040
7
0.280
-0.530
0.040
8
-0.270
-0.220
-0.020
9
-0.270
0.220
0.020
Eigenvectors
#
X
Y
Z
1
0.010
0.200
-0.010
2
0.000
-0.070
0.030
3
-0.010
0.200
-0.010
4
0.030
-0.100
-0.020
5
-0.030
-0.100
-0.020
6
-0.400
-0.510
0.080
7
0.400
-0.510
0.080
8
-0.030
-0.160
0.020
9
0.030
-0.160
0.020
Eigenvectors
#
X
Y
Z
1
-0.030
0.140
-0.010
2
0.010
0.000
0.000
3
-0.030
-0.140
0.010
4
0.090
0.190
0.000
5
0.090
-0.190
0.000
6
-0.260
-0.180
0.070
7
-0.260
0.180
-0.070
8
-0.520
-0.240
0.040
9
-0.520
0.240
-0.040
Eigenvectors
#
X
Y
Z
1
0.100
-0.060
0.010
2
0.000
0.020
0.000
3
-0.100
-0.060
0.010
4
0.410
0.100
0.000
5
-0.410
0.100
0.000
6
0.100
-0.200
-0.100
7
-0.100
-0.200
-0.100
8
-0.260
-0.420
0.000
9
0.260
-0.420
0.000
Eigenvectors
#
X
Y
Z
1
-0.050
0.030
-0.020
2
0.000
0.000
0.000
3
-0.050
-0.030
0.020
4
0.000
0.000
0.000
5
0.000
0.000
0.000
6
0.570
-0.270
0.310
7
0.570
0.270
-0.310
8
-0.040
0.040
0.000
9
-0.040
-0.040
0.000
Eigenvectors
#
X
Y
Z
1
0.050
-0.030
0.030
2
0.000
0.000
0.000
3
-0.050
-0.030
0.030
4
0.000
0.000
0.000
5
0.000
0.000
0.000
6
-0.560
0.270
-0.320
7
0.560
0.270
-0.320
8
-0.040
0.040
0.000
9
0.040
0.040
0.000
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
0.030
-0.050
0.000
5
0.030
0.050
0.000
6
-0.040
0.020
-0.030
7
-0.040
-0.020
0.030
8
-0.410
0.570
0.000
9
-0.410
-0.570
0.000
Eigenvectors
#
X
Y
Z
1
-0.010
0.000
0.000
2
0.000
0.000
0.000
3
0.010
0.000
0.000
4
0.040
-0.050
0.000
5
-0.040
-0.050
0.000
6
0.040
-0.020
0.020
7
-0.040
-0.020
0.020
8
-0.420
0.560
0.000
9
0.420
0.560
0.000