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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	-1817.521794
Energy at 298.15K	-1817.523151
Nuclear repulsion energy	67.216087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	2980	41.08
2	A₁	1360	1288	30.76
3	A₁	543	515	24.34
4	B₁	622	589	112.06
5	B₂	3250	3078	27.19
6	B₂	555	525	29.72

Atom	y (Å)	z (Å)
Zn1	0.000	0.438
C2	0.000	-1.494
H3	0.909	-2.092
H4	-0.909	-2.092

	Zn1	C2	H3	H4
Zn1		1.9329	2.6890	2.6890
C2	1.9329		1.0878	1.0878
H3	2.6890	1.0878		1.8173
H4	2.6890	1.0878	1.8173

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

using model chemistry: MP2=FULL/6-311G*

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	-1817.464125
Energy at 298.15K	-1817.465783
Nuclear repulsion energy	70.907686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3058	0.93
2	A₁	1271	1204	182.58
3	A₁	623	590	4.19
4	B₁	1269	1202	896.20
5	B₂	3433	3252	2.91
6	B₂	736	697	50.11

Atom	y (Å)	z (Å)
Zn1	0.000	0.409
C2	0.000	-1.428
H3	0.990	-1.847
H4	-0.990	-1.847

	Zn1	C2	H3	H4
Zn1		1.8372	2.4638	2.4638
C2	1.8372		1.0748	1.0748
H3	2.4638	1.0748		1.9795
H4	2.4638	1.0748	1.9795

	hartrees
Energy at 0K	-1817.503246
Energy at 298.15K	-1817.504773
Nuclear repulsion energy	68.508504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2920	2765	108.27
2	A'	1455	1378	4.78
3	A'	826	782	165.39
4	A'	507	481	1.07
5	A"	2991	2833	128.66
6	A"	759	719	14.00

Atom	x (Å)	y (Å)	z (Å)
Zn1	-0.034	-0.419	0.000
C2	-0.034	1.507	0.000
H3	0.613	1.762	0.868
H4	0.613	1.762	-0.868

	Zn1	C2	H3	H4
Zn1		1.9260	2.4352	2.4352
C2	1.9260		1.1123	1.1123
H3	2.4352	1.1123		1.7366
H4	2.4352	1.1123	1.7366

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Zn1	C2	H3	123.349		Zn1	C2	H4	123.349
H3	C2	H4	113.301

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

using model chemistry: MP2=FULL/6-311G*

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)