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	hartrees
Energy at 0K	-186.783285
Energy at 298.15K
HF Energy	-186.783285
Nuclear repulsion energy	92.438165

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'	3249	3102	7.97	83.70	0.58	0.74
2	A'	3129	2988	14.89	87.93	0.14	0.24
3	A'	2358	2251	32.22	154.72	0.31	0.48
4	A'	1750	1671	36.84	41.48	0.25	0.40
5	A'	1526	1457	9.91	25.93	0.44	0.61
6	A'	1240	1184	9.10	5.08	0.75	0.86
7	A'	981	937	5.55	1.06	0.03	0.06
8	A'	623	595	4.40	2.82	0.33	0.49
9	A'	246	235	5.91	8.74	0.53	0.69
10	A"	1098	1049	19.45	0.09	0.75	0.86
11	A"	783	748	1.36	8.42	0.75	0.86
12	A"	371	354	9.64	0.87	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.091	-1.550
N2	-0.609	-0.487
C3	0.000	0.707
N4	0.423	1.790
H5	-0.434	-2.502
H6	1.182	-1.564

	C1	N2	C3	N4	H5	H6
C1		1.2734	2.2593	3.3573	1.0865	1.0914
N2	1.2734		1.3397	2.4999	2.0230	2.0899
C3	2.2593	1.3397		1.1632	3.2381	2.5600
N4	3.3573	2.4999	1.1632		4.3770	3.4388
H5	1.0865	2.0230	3.2381	4.3770		1.8686
H6	1.0914	2.0899	2.5600	3.4388	1.8686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.655	N2	C1	H5	117.796
N2	C1	H6	124.022	N2	C3	N4	174.333
H5	C1	H6	118.181

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

using model chemistry: B1B95/6-31G**

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	-0.115
2	N	-0.359
3	C	0.504
4	N	-0.431
5	H	0.204
6	H	0.197

	x	y	z	Total
	0.518	-4.310	0.000	4.341
CHELPG
AIM
ESP

	x	y	z
x	3.431	0.383	0.000
y	0.383	7.921	0.000
z	0.000	0.000	2.029

<r²>	70.034
(<r²>)^1/2	8.369

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

using model chemistry: B1B95/6-31G**

States and conformations

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