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	hartrees
Energy at 0K	-32.244697
Energy at 298.15K
HF Energy	-32.244697
Nuclear repulsion energy	46.408610

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'	3214	3104	14.63	80.16	0.62	0.77
2	A'	3093	2987	27.89	88.26	0.18	0.30
3	A'	2288	2210	42.08	196.45	0.27	0.43
4	A'	1686	1628	29.19	61.55	0.22	0.36
5	A'	1495	1444	11.63	34.00	0.45	0.62
6	A'	1215	1173	7.33	5.81	0.75	0.86
7	A'	945	913	5.87	1.20	0.13	0.22
8	A'	613	592	2.06	3.49	0.32	0.48
9	A'	245	237	5.82	9.76	0.53	0.69
10	A"	1089	1052	31.10	1.74	0.75	0.86
11	A"	764	738	0.21	3.87	0.75	0.86
12	A"	363	350	6.07	0.33	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.101	-1.570
N2	-0.623	-0.497
C3	0.000	0.712
N4	0.424	1.818
H5	-0.420	-2.535
H6	1.204	-1.569

	C1	N2	C3	N4	H5	H6
C1		1.2949	2.2836	3.4035	1.0970	1.1028
N2	1.2949		1.3592	2.5406	2.0488	2.1185
C3	2.2836	1.3592		1.1852	3.2737	2.5786
N4	3.4035	2.5406	1.1852		4.4345	3.4757
H5	1.0970	2.0488	3.2737	4.4345		1.8897
H6	1.1028	2.1185	2.5786	3.4757	1.8897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.706	N2	C1	H5	117.624
N2	C1	H6	123.954	N2	C3	N4	173.682
H5	C1	H6	118.422

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

using model chemistry: B3LYP/CEP-31G*

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	-0.411
2	N	0.292
3	C	-0.666
4	N	0.312
5	H	0.260
6	H	0.213

	x	y	z	Total
	0.642	-4.514	0.000	4.559
CHELPG
AIM
ESP

	x	y	z
x	3.551	0.337	0.000
y	0.337	8.409	0.000
z	0.000	0.000	2.492

<r²>	57.513
(<r²>)^1/2	7.584

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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