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	hartrees
Energy at 0K	-185.830632
Energy at 298.15K
HF Energy	-185.830632
Nuclear repulsion energy	93.829621

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'	3349	3042	5.51	72.23	0.58	0.73
2	A'	3237	2941	16.93	81.25	0.10	0.18
3	A'	2566	2331	103.64	172.24	0.23	0.37
4	A'	1870	1698	79.25	62.42	0.20	0.34
5	A'	1619	1471	34.81	22.94	0.38	0.55
6	A'	1339	1217	13.37	2.06	0.74	0.85
7	A'	1011	918	6.72	1.73	0.09	0.17
8	A'	716	650	7.75	2.28	0.14	0.25
9	A'	287	260	7.78	7.54	0.51	0.67
10	A"	1254	1139	14.50	1.49	0.75	0.86
11	A"	846	769	3.65	4.29	0.75	0.86
12	A"	441	401	12.69	0.62	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.068	-1.519
N2	-0.627	-0.478
C3	0.000	0.712
N4	0.467	1.739
H5	-0.437	-2.468
H6	1.147	-1.518

	C1	N2	C3	N4	H5	H6
C1		1.2519	2.2328	3.2830	1.0750	1.0793
N2	1.2519		1.3453	2.4724	1.9994	2.0563
C3	2.2328	1.3453		1.1281	3.2106	2.5079
N4	3.2830	2.4724	1.1281		4.3037	3.3273
H5	1.0750	1.9994	3.2106	4.3037		1.8476
H6	1.0793	2.0563	2.5079	3.3273	1.8476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.521	N2	C1	H5	118.270
N2	C1	H6	123.622	N2	C3	N4	176.686
H5	C1	H6	118.109

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

using model chemistry: HF/cc-pVQZ

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	0.063
2	N	-0.334
3	C	0.250
4	N	-0.253
5	H	0.170
6	H	0.103

	x	y	z	Total
	0.464	-4.935	0.000	4.957
CHELPG
AIM
ESP

	x	y	z
x	4.088	0.264	0.000
y	0.264	7.756	0.000
z	0.000	0.000	3.170

<r²>	68.601
(<r²>)^1/2	8.283

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

using model chemistry: HF/cc-pVQZ

States and conformations

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