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	hartrees
Energy at 0K	-186.883492
Energy at 298.15K
HF Energy	-186.883492
Nuclear repulsion energy	91.693483

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'	3107	3099	7.66	100.86	0.56	0.72
2	A'	2982	2975	22.68	116.70	0.16	0.27
3	A'	2192	2187	22.52	197.05	0.28	0.44
4	A'	1624	1620	18.84	47.66	0.22	0.36
5	A'	1471	1468	10.10	35.78	0.39	0.56
6	A'	1192	1189	7.98	4.75	0.75	0.86
7	A'	925	922	6.35	1.90	0.01	0.02
8	A'	599	597	3.05	4.48	0.31	0.48
9	A'	245	244	5.38	10.99	0.54	0.70
10	A"	1054	1051	20.31	0.53	0.75	0.86
11	A"	753	751	1.25	4.72	0.75	0.86
12	A"	351	350	7.41	0.50	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.106	-1.578
N2	-0.583	-0.493
C3	0.000	0.715
N4	0.383	1.823
H5	-0.439	-2.525
H6	1.204	-1.608

	C1	N2	C3	N4	H5	H6
C1		1.2860	2.2958	3.4126	1.0919	1.0981
N2	1.2860		1.3409	2.5088	2.0372	2.1065
C3	2.2958	1.3409		1.1722	3.2692	2.6166
N4	3.4126	2.5088	1.1722		4.4245	3.5281
H5	1.0919	2.0372	3.2692	4.4245		1.8809
H6	1.0981	2.1065	2.6166	3.5281	1.8809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	121.828	N2	C1	H5	117.670
N2	C1	H6	123.958	N2	C3	N4	173.278
H5	C1	H6	118.372

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

using model chemistry: BLYP/TZVP

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	-0.095
3	C	0.047
4	N	-0.145
5	H	0.153
6	H	0.124

	x	y	z	Total
	0.534	-4.359	0.000	4.392
CHELPG
AIM
ESP

	x	y	z
x	4.081	0.360	0.000
y	0.360	9.283	0.000
z	0.000	0.000	2.854

<r²>	71.955
(<r²>)^1/2	8.483

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

using model chemistry: BLYP/TZVP

States and conformations

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