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	hartrees
Energy at 0K	-184.501635
Energy at 298.15K
HF Energy	-184.501635
Nuclear repulsion energy	88.778648

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'	3491	3491	3.66	48.93	0.65	0.78
2	A'	3318	3318	17.40	40.77	0.12	0.21
3	A'	2265	2265	13.80	66.83	0.30	0.46
4	A'	1695	1695	10.80	11.20	0.20	0.33
5	A'	1519	1519	9.56	33.20	0.43	0.60
6	A'	1215	1215	1.72	5.15	0.75	0.85
7	A'	860	860	0.29	0.99	0.03	0.05
8	A'	609	609	2.36	1.51	0.36	0.53
9	A'	237	237	4.57	4.73	0.53	0.69
10	A"	1024	1024	18.83	0.05	0.75	0.86
11	A"	810	810	0.08	5.87	0.75	0.86
12	A"	323	323	6.10	0.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.165	-1.585
N2	-0.658	-0.543
C3	0.000	0.723
N4	0.378	1.871
H5	-0.304	-2.587
H6	1.273	-1.538

	C1	N2	C3	N4	H5	H6
C1		1.3271	2.3136	3.4628	1.1063	1.1094
N2	1.3271		1.4270	2.6276	2.0738	2.1723
C3	2.3136	1.4270		1.2091	3.3237	2.5952
N4	3.4628	2.6276	1.2091		4.5101	3.5253
H5	1.1063	2.0738	3.3237	4.5101		1.8939
H6	1.1094	2.1723	2.5952	3.5253	1.8939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	114.245	N2	C1	H5	116.618
N2	C1	H6	125.909	N2	C3	N4	170.773
H5	C1	H6	117.473

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

using model chemistry: TPSSh/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	-0.002
2	N	-0.166
3	C	0.116
4	N	-0.162
5	H	0.110
6	H	0.104

	x	y	z	Total
	0.812	-3.187	0.000	3.288
CHELPG
AIM
ESP

	x	y	z
x	1.781	0.196	0.000
y	0.196	5.622	0.000
z	0.000	0.000	0.859

<r²>	73.254
(<r²>)^1/2	8.559

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

using model chemistry: TPSSh/STO-3G

States and conformations

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