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	hartrees
Energy at 0K	-186.678763
Energy at 298.15K
HF Energy	-186.678763
Nuclear repulsion energy	90.673174

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'	3185	3185	15.42	108.42	0.54	0.70
2	A'	3043	3043	25.42	116.57	0.16	0.28
3	A'	2160	2160	20.80	154.78	0.33	0.49
4	A'	1638	1638	20.78	24.38	0.25	0.41
5	A'	1511	1511	7.87	35.42	0.43	0.60
6	A'	1200	1200	5.25	5.95	0.74	0.85
7	A'	910	910	4.43	3.94	0.09	0.17
8	A'	551	551	2.31	5.34	0.47	0.64
9	A'	238	238	6.73	9.34	0.53	0.70
10	A"	1058	1058	29.75	0.05	0.75	0.86
11	A"	750	750	0.30	8.59	0.75	0.86
12	A"	319	319	5.70	1.16	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.139	-1.616
N2	-0.537	-0.509
C3	0.000	0.723
N4	0.301	1.877
H5	-0.421	-2.550
H6	1.235	-1.669

	C1	N2	C3	N4	H5	H6
C1		1.2969	2.3437	3.4971	1.0893	1.0966
N2	1.2969		1.3446	2.5293	2.0437	2.1174
C3	2.3437	1.3446		1.1924	3.3004	2.6927
N4	3.4971	2.5293	1.1924		4.4857	3.6676
H5	1.0893	2.0437	3.3004	4.4857		1.8756
H6	1.0966	2.1174	2.6927	3.6676	1.8756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	125.059	N2	C1	H5	117.590
N2	C1	H6	124.210	N2	C3	N4	171.095
H5	C1	H6	118.201

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

using model chemistry: B97D3/6-31G

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	-0.084
2	N	-0.298
3	C	0.253
4	N	-0.235
5	H	0.189
6	H	0.175

	x	y	z	Total
	0.836	-4.295	0.000	4.375
CHELPG
AIM
ESP

	x	y	z
x	3.311	0.161	0.000
y	0.161	8.953	0.000
z	0.000	0.000	1.882

<r²>	73.604
(<r²>)^1/2	8.579

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

using model chemistry: B97D3/6-31G

States and conformations

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