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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	-1816.875999
Energy at 298.15K	-1816.877449
Nuclear repulsion energy	67.754766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3005	21.02
2	A₁	1439	1345	16.18
3	A₁	592	553	28.37
4	B₁	679	634	79.51
5	B₂	3321	3103	9.53
6	B₂	603	564	1.77

Atom	y (Å)	z (Å)
Zn1	0.000	0.435
C2	0.000	-1.481
H3	0.901	-2.081
H4	-0.901	-2.081

	Zn1	C2	H3	H4
Zn1		1.9158	2.6729	2.6729
C2	1.9158		1.0829	1.0829
H3	2.6729	1.0829		1.8023
H4	2.6729	1.0829	1.8023

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

using model chemistry: MP2=FULL/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	-1816.840666
Energy at 298.15K	-1816.842382
Nuclear repulsion energy	72.071987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3267	3052	17.20
2	A₁	1324	1237	153.15
3	A₁	718	671	2.14
4	B₁	11635	10872	0.00
5	B₂	3443	3217	12.40
6	B₂	708	662	81.05

Atom	y (Å)	z (Å)
Zn1	0.000	0.403
C2	0.000	-1.393
H3	0.965	-1.867
H4	-0.965	-1.867

	Zn1	C2	H3	H4
Zn1		1.7965	2.4669	2.4669
C2	1.7965		1.0751	1.0751
H3	2.4669	1.0751		1.9302
H4	2.4669	1.0751	1.9302

	hartrees
Energy at 0K	-1816.858182
Energy at 298.15K	-1816.859731
Nuclear repulsion energy	70.652168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3031	2832	27.06
2	A'	1384	1293	16.46
3	A'	788	736	174.55
4	A'	602	563	6.82
5	A"	3122	2917	32.20
6	A"	701	655	41.62

Atom	x (Å)	y (Å)	z (Å)
Zn1	-0.031	-0.406	0.000
C2	-0.031	1.448	0.000
H3	0.557	1.751	0.881
H4	0.557	1.751	-0.881

	Zn1	C2	H3	H4
Zn1		1.8540	2.4031	2.4031
C2	1.8540		1.1017	1.1017
H3	2.4031	1.1017		1.7624
H4	2.4031	1.1017	1.7624

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Zn1	C2	H3	123.681		Zn1	C2	H4	123.681
H3	C2	H4	112.637

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

using model chemistry: MP2=FULL/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)