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	hartrees
Energy at 0K	-186.548556
Energy at 298.15K
HF Energy	-186.403478
Nuclear repulsion energy	90.732257

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'	3269	3269	9.82	95.51	0.54	0.70
2	A'	3129	3129	16.23	101.01	0.15	0.27
3	A'	2174	2174	19.36	139.62	0.31	0.47
4	A'	1675	1675	21.01	15.73	0.23	0.37
5	A'	1542	1542	12.87	35.06	0.41	0.58
6	A'	1239	1239	4.44	5.95	0.75	0.86
7	A'	906	906	4.21	1.94	0.05	0.09
8	A'	567	567	2.42	4.17	0.46	0.63
9	A'	237	237	7.25	8.83	0.54	0.70
10	A"	1107	1107	27.86	0.01	0.75	0.86
11	A"	770	770	0.20	9.90	0.75	0.86
12	A"	316	316	7.42	1.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.127	-1.606
N2	-0.561	-0.510
C3	0.000	0.724
N4	0.338	1.864
H5	-0.418	-2.542
H6	1.217	-1.646

	C1	N2	C3	N4	H5	H6
C1		1.2941	2.3335	3.4764	1.0836	1.0907
N2	1.2941		1.3561	2.5390	2.0367	2.1104
C3	2.3335	1.3561		1.1890	3.2928	2.6646
N4	3.4764	2.5390	1.1890		4.4706	3.6187
H5	1.0836	2.0367	3.2928	4.4706		1.8650
H6	1.0907	2.1104	2.6646	3.6187	1.8650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.391	N2	C1	H5	117.603
N2	C1	H6	124.266	N2	C3	N4	172.060
H5	C1	H6	118.131

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

using model chemistry: B2PLYP/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	-0.069
2	N	-0.306
3	C	0.216
4	N	-0.200
5	H	0.186
6	H	0.172

	x	y	z	Total
	0.904	-4.312	0.000	4.406
CHELPG
AIM
ESP

	x	y	z
x	3.260	0.167	0.000
y	0.167	8.255	-0.001
z	0.000	-0.001	1.844

<r²>	73.489
(<r²>)^1/2	8.573

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

using model chemistry: B2PLYP/6-31G

States and conformations

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