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	hartrees
Energy at 0K	-185.613853
Energy at 298.15K
HF Energy	-185.613853
Nuclear repulsion energy	91.764611

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'	3228	3110	9.97	85.10	0.55	0.71
2	A'	3101	2987	13.06	84.79	0.15	0.27
3	A'	2302	2217	19.67	132.51	0.32	0.49
4	A'	1702	1639	30.03	31.05	0.27	0.42
5	A'	1549	1492	10.04	29.05	0.45	0.62
6	A'	1233	1188	4.64	5.21	0.74	0.85
7	A'	937	902	4.40	1.89	0.05	0.10
8	A'	618	596	4.03	3.08	0.46	0.63
9	A'	260	251	7.55	9.12	0.53	0.69
10	A"	1117	1076	32.86	0.10	0.75	0.86
11	A"	804	774	1.26	9.94	0.75	0.86
12	A"	411	396	6.54	1.05	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.096	-1.589
N2	-0.563	-0.491
C3	0.000	0.722
N4	0.377	1.830
H5	-0.461	-2.521
H6	1.186	-1.652

	C1	N2	C3	N4	H5	H6
C1		1.2810	2.3136	3.4314	1.0854	1.0918
N2	1.2810		1.3372	2.5043	2.0325	2.0994
C3	2.3136	1.3372		1.1706	3.2757	2.6543
N4	3.4314	2.5043	1.1706		4.4313	3.5756
H5	1.0854	2.0325	3.2757	4.4313		1.8621
H6	1.0918	2.0994	2.6543	3.5756	1.8621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	124.162	N2	C1	H5	118.159
N2	C1	H6	124.257	N2	C3	N4	173.891
H5	C1	H6	117.584

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

using model chemistry: HSEh1PBE/3-21G

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	-0.129
2	N	-0.522
3	C	0.585
4	N	-0.430
5	H	0.259
6	H	0.237

	x	y	z	Total
	0.759	-4.170	0.000	4.239
CHELPG
AIM
ESP

	x	y	z
x	2.924	0.265	0.000
y	0.265	7.801	0.000
z	0.000	0.000	1.615

<r²>	71.893
(<r²>)^1/2	8.479

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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