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	hartrees
Energy at 0K	-186.932393
Energy at 298.15K
HF Energy	-186.932393
Nuclear repulsion energy	92.388584

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'	3184	3184	4.97	87.27	0.59	0.74
2	A'	3064	3064	18.08	101.38	0.11	0.19
3	A'	2270	2270	31.18	226.77	0.24	0.39
4	A'	1683	1683	24.78	64.42	0.20	0.34
5	A'	1506	1506	14.51	28.46	0.37	0.54
6	A'	1224	1224	10.82	3.01	0.69	0.82
7	A'	954	954	5.88	2.36	0.04	0.07
8	A'	628	628	3.92	4.65	0.17	0.29
9	A'	251	251	5.76	9.06	0.46	0.63
10	A"	1091	1091	20.07	1.18	0.75	0.86
11	A"	778	778	1.24	2.01	0.75	0.86
12	A"	369	369	7.36	0.24	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.101	-1.560
N2	-0.593	-0.489
C3	0.000	0.709
N4	0.398	1.801
H5	-0.430	-2.506
H6	1.192	-1.573

	C1	N2	C3	N4	H5	H6
C1		1.2765	2.2710	3.3732	1.0855	1.0905
N2	1.2765		1.3370	2.4947	2.0239	2.0889
C3	2.2710	1.3370		1.1616	3.2440	2.5749
N4	3.3732	2.4947	1.1616		4.3855	3.4660
H5	1.0855	2.0239	3.2440	4.3855		1.8709
H6	1.0905	2.0889	2.5749	3.4660	1.8709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.664	N2	C1	H5	117.710
N2	C1	H6	123.703	N2	C3	N4	173.668
H5	C1	H6	118.587

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	0.328
2	N	-0.765
3	C	1.285
4	N	-1.099
5	H	0.125
6	H	0.125

	x	y	z	Total
	0.456	-4.504	0.000	4.527
CHELPG
AIM
ESP

	x	y	z
x	4.549	0.357	0.000
y	0.357	9.132	0.000
z	0.000	0.000	3.589

<r²>	70.639
(<r²>)^1/2	8.405

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

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

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