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	hartrees
Energy at 0K	-184.437190
Energy at 298.15K
HF Energy	-184.437190
Nuclear repulsion energy	88.886078

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'	3486	3111	3.56	47.88	0.65	0.79
2	A'	3314	2958	16.89	39.45	0.12	0.21
3	A'	2286	2040	12.14	67.03	0.30	0.46
4	A'	1700	1517	11.28	12.14	0.18	0.30
5	A'	1522	1358	11.15	32.02	0.44	0.61
6	A'	1216	1085	1.60	4.75	0.74	0.85
7	A'	858	766	0.42	0.96	0.03	0.05
8	A'	612	546	3.08	1.40	0.37	0.54
9	A'	240	214	4.76	4.81	0.53	0.69
10	A"	1036	925	18.90	0.05	0.75	0.86
11	A"	808	721	0.04	6.01	0.75	0.86
12	A"	328	292	6.99	0.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.156	-1.585
N2	-0.658	-0.541
C3	0.000	0.726
N4	0.389	1.867
H5	-0.315	-2.585
H6	1.264	-1.543

	C1	N2	C3	N4	H5	H6
C1		1.3236	2.3164	3.4598	1.1056	1.1086
N2	1.3236		1.4277	2.6256	2.0724	2.1673
C3	2.3164	1.4277		1.2053	3.3261	2.5977
N4	3.4598	2.6256	1.2053		4.5074	3.5210
H5	1.1056	2.0724	3.3261	4.5074		1.8918
H6	1.1086	2.1673	2.5977	3.5210	1.8918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	114.632	N2	C1	H5	116.825
N2	C1	H6	125.790	N2	C3	N4	171.374
H5	C1	H6	117.385

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

using model chemistry: B3LYP/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	-0.008
2	N	-0.173
3	C	0.126
4	N	-0.168
5	H	0.115
6	H	0.108

	x	y	z	Total
	0.818	-3.224	0.000	3.326
CHELPG
AIM
ESP

	x	y	z
x	1.777	0.195	0.000
y	0.195	5.562	0.000
z	0.000	0.000	0.865

<r²>	73.187
(<r²>)^1/2	8.555

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

using model chemistry: B3LYP/STO-3G

States and conformations

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