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	hartrees
Energy at 0K	-186.824000
Energy at 298.15K
HF Energy	-186.824000
Nuclear repulsion energy	91.523942

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'	3108	3091	8.29	87.24	0.57	0.73
2	A'	2990	2974	18.72	92.18	0.14	0.24
3	A'	2198	2186	14.05	154.14	0.30	0.46
4	A'	1630	1621	20.42	38.60	0.25	0.40
5	A'	1466	1458	7.53	28.36	0.43	0.60
6	A'	1185	1179	9.99	3.98	0.75	0.86
7	A'	928	923	4.82	2.22	0.04	0.07
8	A'	605	602	5.12	3.56	0.24	0.39
9	A'	247	246	4.71	8.42	0.48	0.65
10	A"	1035	1029	16.31	0.10	0.75	0.86
11	A"	760	756	1.26	5.31	0.75	0.86
12	A"	368	366	7.67	0.75	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.107	-1.580
N2	-0.584	-0.493
C3	0.000	0.714
N4	0.383	1.827
H5	-0.436	-2.531
H6	1.206	-1.610

	C1	N2	C3	N4	H5	H6
C1		1.2882	2.2969	3.4184	1.0950	1.0999
N2	1.2882		1.3412	2.5134	2.0436	2.1105
C3	2.2969	1.3412		1.1767	3.2746	2.6188
N4	3.4184	2.5134	1.1767		4.4344	3.5345
H5	1.0950	2.0436	3.2746	4.4344		1.8829
H6	1.0999	2.1105	2.6188	3.5345	1.8829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	121.734	N2	C1	H5	117.842
N2	C1	H6	124.005	N2	C3	N4	173.152
H5	C1	H6	118.153

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.159
2	N	-0.148
3	C	0.366
4	N	-0.337
5	H	0.140
6	H	0.139

	x	y	z	Total
	0.392	-4.149	0.000	4.167
CHELPG
AIM
ESP

	x	y	z
x	3.739	0.338	0.000
y	0.338	8.633	0.000
z	0.000	0.000	2.540

<r²>	71.620
(<r²>)^1/2	8.463

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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