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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	³B₁
2	1	no	C2V	¹A₁
2	2	yes	CS	¹A^'

	hartrees
Energy at 0K	-1816.786056
Energy at 298.15K	-1816.787469
Nuclear repulsion energy	67.043002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	2979	30.58
2	A₁	1413	1338	20.38
3	A₁	566	536	21.82
4	B₁	668	632	83.61
5	B₂	3245	3072	11.83
6	B₂	588	557	2.27

Atom	y (Å)	z (Å)
Zn1	0.000	0.440
C2	0.000	-1.498
H3	0.910	-2.100
H4	-0.910	-2.100

	Zn1	C2	H3	H4
Zn1		1.9374	2.6980	2.6980
C2	1.9374		1.0913	1.0913
H3	2.6980	1.0913		1.8197
H4	2.6980	1.0913	1.8197

All results from a given calculation for ZnCH₂ (Zinc methylene)

using model chemistry: CCD/6-31G*

States and conformations

State 1 (³B₁) , Conformer 1 (C2V)

State 1 () , Conformer 2 ()

State 2 (¹A₁) , Conformer 1 (C2V)

State 2 (¹A^') , Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	hartrees
Energy at 0K	-1816.736172
Energy at 298.15K	-1816.737869
Nuclear repulsion energy	71.512505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3051	1.85
2	A₁	1251	1184	153.88
4	B₁	701	664	89.54
5	B₂	3390	3209	9.01
6	B₂	702	664	0.01

Atom	y (Å)	z (Å)
Zn1	0.000	0.407
C2	0.000	-1.403
H3	0.965	-1.891
H4	-0.965	-1.891

	Zn1	C2	H3	H4
Zn1		1.8100	2.4921	2.4921
C2	1.8100		1.0811	1.0811
H3	2.4921	1.0811		1.9298
H4	2.4921	1.0811	1.9298

	hartrees
Energy at 0K	-1816.764835
Energy at 298.15K	-1816.766333
Nuclear repulsion energy	68.653986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2996	2835	24.17
2	A'	1430	1354	8.40
3	A'	772	731	238.60
4	A'	540	511	3.70
5	A"	3073	2909	31.48
6	A"	696	659	35.51

Atom	x (Å)	y (Å)	z (Å)
Zn1	-0.030	-0.420	0.000
C2	-0.030	1.490	0.000
H3	0.544	1.832	0.882
H4	0.544	1.832	-0.882

	Zn1	C2	H3	H4
Zn1		1.9108	2.4867	2.4867
C2	1.9108		1.1072	1.1072
H3	2.4867	1.1072		1.7650
H4	2.4867	1.1072	1.7650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Zn1	C2	H3	123.512		Zn1	C2	H4	123.512
H3	C2	H4	112.977

All results from a given calculation for ZnCH2 (Zinc methylene)

using model chemistry: CCD/6-31G*

States and conformations

State 1 (3B1) , Conformer 1 (C2V)

State 1 () , Conformer 2 ()

State 2 (1A1) , Conformer 1 (C2V)

State 2 (1A') , Conformer 2 (CS)

All results from a given calculation for ZnCH₂ (Zinc methylene)

State 1 (³B₁) , Conformer 1 (C2V)

State 2 (¹A₁) , Conformer 1 (C2V)

State 2 (¹A^') , Conformer 2 (CS)