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	hartrees
Energy at 0K	-186.870290
Energy at 298.15K
HF Energy	-186.870290
Nuclear repulsion energy	91.878930

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'	3217	3084	9.53	92.74	0.58	0.74
2	A'	3093	2966	17.35	98.25	0.13	0.23
3	A'	2284	2190	24.42	157.32	0.32	0.48
4	A'	1699	1629	27.16	38.91	0.25	0.40
5	A'	1519	1456	9.60	32.47	0.41	0.58
6	A'	1228	1178	9.04	5.08	0.75	0.86
7	A'	959	919	5.44	1.44	0.03	0.07
8	A'	612	587	3.54	3.30	0.33	0.50
9	A'	244	234	5.56	9.01	0.53	0.69
10	A"	1085	1040	20.51	0.07	0.75	0.86
11	A"	776	744	0.93	8.01	0.75	0.86
12	A"	359	345	8.36	0.90	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.106	-1.565
N2	-0.599	-0.493
C3	0.000	0.709
N4	0.397	1.812
H5	-0.422	-2.516
H6	1.199	-1.579

	C1	N2	C3	N4	H5	H6
C1		1.2831	2.2769	3.3899	1.0875	1.0925
N2	1.2831		1.3435	2.5114	2.0303	2.1003
C3	2.2769	1.3435		1.1722	3.2526	2.5836
N4	3.3899	2.5114	1.1722		4.4048	3.4852
H5	1.0875	2.0303	3.2526	4.4048		1.8716
H6	1.0925	2.1003	2.5836	3.4852	1.8716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.179	N2	C1	H5	117.600
N2	C1	H6	124.091	N2	C3	N4	173.307
H5	C1	H6	118.309

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

using model chemistry: TPSSh/6-31G**

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	-0.024
2	N	-0.384
3	C	0.545
4	N	-0.461
5	H	0.165
6	H	0.158

	x	y	z	Total
	0.554	-4.317	0.000	4.352
CHELPG
AIM
ESP

	x	y	z
x	3.481	0.351	0.000
y	0.351	8.293	0.000
z	0.000	0.000	2.077

<r²>	70.874
(<r²>)^1/2	8.419

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

using model chemistry: TPSSh/6-31G**

States and conformations

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