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	hartrees
Energy at 0K	-184.399732
Energy at 298.15K
HF Energy	-184.399732
Nuclear repulsion energy	89.231293

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'	3526	3526	4.19	44.70	0.65	0.79
2	A'	3354	3354	20.55	37.14	0.12	0.21
3	A'	2360	2360	8.80	60.98	0.29	0.45
4	A'	1743	1743	15.65	12.35	0.15	0.27
5	A'	1543	1543	11.67	28.70	0.48	0.65
6	A'	1235	1235	1.53	4.50	0.74	0.85
7	A'	877	877	0.34	0.86	0.02	0.05
8	A'	626	626	3.42	1.05	0.37	0.54
9	A'	244	244	5.20	4.72	0.54	0.71
10	A"	1064	1064	18.65	0.05	0.75	0.86
11	A"	821	821	0.02	6.30	0.75	0.86
12	A"	339	339	8.01	0.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.140	-1.572
N2	-0.672	-0.536
C3	0.000	0.726
N4	0.422	1.847
H5	-0.328	-2.573
H6	1.245	-1.527

	C1	N2	C3	N4	H5	H6
C1		1.3167	2.3025	3.4314	1.1039	1.1068
N2	1.3167		1.4298	2.6224	2.0657	2.1587
C3	2.3025	1.4298		1.1981	3.3147	2.5739
N4	3.4314	2.6224	1.1981		4.4830	3.4730
H5	1.1039	2.0657	3.3147	4.4830		1.8890
H6	1.1068	2.1587	2.5739	3.4730	1.8890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	113.869	N2	C1	H5	116.889
N2	C1	H6	125.706	N2	C3	N4	172.554
H5	C1	H6	117.405

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

using model chemistry: wB97X-D/STO-3G

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	-0.009
2	N	-0.174
3	C	0.124
4	N	-0.167
5	H	0.116
6	H	0.110

	x	y	z	Total
	0.805	-3.233	0.000	3.332
CHELPG
AIM
ESP

	x	y	z
x	1.775	0.221	0.000
y	0.221	5.331	0.000
z	0.000	0.000	0.851

<r²>	72.559
(<r²>)^1/2	8.518

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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