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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
2	1	yes	C2V	³B₂

	hartrees
Energy at 0K	-76.514347
Energy at 298.15K	-76.514268
HF Energy	-76.333106
Nuclear repulsion energy	23.528503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	3007	28.35
2	A₁	1632	1568	73.41
3	A₁	1324	1273	15.20
4	B₁	846	813	118.64
5	B₂	3206	3081	8.39
6	B₂	567	545	2.96

Atom	y (Å)	z (Å)
C1	0.000	-0.486
C2	0.000	0.836
H3	0.934	-1.050
H4	-0.934	-1.050

	C1	C2	H3	H4
C1		1.3222	1.0911	1.0911
C2	1.3222		2.1048	2.1048
H3	1.0911	2.1048		1.8680
H4	1.0911	2.1048	1.8680

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: QCISD/3-21G*

States and conformations

State 1 (¹A₁)

State 2 (³B₂)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-76.462910
Energy at 298.15K	-76.463016
HF Energy	-76.312202
Nuclear repulsion energy	23.307464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3049	2930	3.23
2	A₁	1546	1486	0.38
3	A₁	1470	1413	4.99
4	B₁	869	836	37.16
5	B₂	3113	2992	10.75
6	B₂	1070	1028	3.92

Atom	y (Å)	z (Å)
C1	0.000	-0.491
C2	0.000	0.847
H3	0.930	-1.067
H4	-0.930	-1.067

	C1	C2	H3	H4
C1		1.3381	1.0944	1.0944
C2	1.3381		2.1284	2.1284
H3	1.0944	2.1284		1.8609
H4	1.0944	2.1284	1.8609

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C2	C1	H3	121.129		C2	C1	H4	121.129
H3	C1	H4	117.742

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: QCISD/3-21G*

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)