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	hartrees
Energy at 0K	-186.912529
Energy at 298.15K
HF Energy	-186.912529
Nuclear repulsion energy	92.239738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3199	3081	11.29	90.25	0.59	0.75
2	A'	3075	2962	24.65	95.91	0.16	0.28
3	A'	2280	2196	27.07	175.31	0.30	0.46
4	A'	1690	1628	26.84	46.97	0.23	0.38
5	A'	1517	1461	12.72	31.68	0.43	0.61
6	A'	1234	1189	10.05	3.88	0.75	0.86
7	A'	956	921	6.13	1.37	0.03	0.05
8	A'	625	602	3.74	3.17	0.30	0.46
9	A'	249	240	5.54	9.48	0.54	0.70
10	A"	1080	1041	20.52	0.39	0.75	0.86
11	A"	778	750	1.44	5.51	0.75	0.86
12	A"	369	355	7.77	0.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.099	-1.560
N2	-0.599	-0.488
C3	0.000	0.709
N4	0.406	1.800
H5	-0.435	-2.507
H6	1.191	-1.578

	C1	N2	C3	N4	H5	H6
C1		1.2792	2.2716	3.3745	1.0870	1.0922
N2	1.2792		1.3389	2.4995	2.0259	2.0956
C3	2.2716	1.3389		1.1642	3.2459	2.5786
N4	3.3745	2.4995	1.1642		4.3889	3.4680
H5	1.0870	2.0259	3.2459	4.3889		1.8725
H6	1.0922	2.0956	2.5786	3.4680	1.8725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.357	N2	C1	H5	117.551
N2	C1	H6	123.990	N2	C3	N4	173.851
H5	C1	H6	118.460

All results from a given calculation for H₂CNCN (cyanamide, methylene)

using model chemistry: TPSSh/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.195
2	N	-0.254
3	C	0.305
4	N	-0.314
5	H	0.234
6	H	0.223

	x	y	z	Total
	0.503	-4.392	0.000	4.420
CHELPG
AIM
ESP

	x	y	z
x	3.652	0.332	0.000
y	0.332	8.372	0.000
z	0.000	0.000	2.354

<r²>	70.599
(<r²>)^1/2	8.402

All results from a given calculation for H2CNCN (cyanamide, methylene)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for H₂CNCN (cyanamide, methylene)