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	hartrees
Energy at 0K	-186.781810
Energy at 298.15K
HF Energy	-186.781810
Nuclear repulsion energy	92.167272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3089	8.28
2	A'	3110	2975	16.46
3	A'	2326	2226	29.10
4	A'	1729	1654	32.39
5	A'	1520	1455	9.96
6	A'	1234	1181	8.65
7	A'	973	931	5.68
8	A'	620	593	4.32
9	A'	246	236	5.87
10	A"	1089	1042	20.92
11	A"	778	744	1.32
12	A"	367	351	9.23

Atom	x (Å)	y (Å)
C1	0.096	-1.558
N2	-0.603	-0.489
C3	0.000	0.709
N4	0.412	1.801
H5	-0.432	-2.510
H6	1.190	-1.575

	C1	N2	C3	N4	H5	H6
C1		1.2776	2.2687	3.3737	1.0890	1.0940
N2	1.2776		1.3407	2.5046	2.0286	2.0964
C3	2.2687	1.3407		1.1674	3.2478	2.5753
N4	3.3737	2.5046	1.1674		4.3930	3.4644
H5	1.0890	2.0286	3.2478	4.3930		1.8726
H6	1.0940	2.0964	2.5753	3.4644	1.8726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.093	N2	C1	H5	117.784
N2	C1	H6	124.076	N2	C3	N4	173.954
H5	C1	H6	118.141

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

using model chemistry: B3PW91/6-31G*

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	-0.130
2	N	-0.361
3	C	0.532
4	N	-0.454
5	H	0.210
6	H	0.203

	x	y	z	Total
	0.534	-4.348	0.000	4.380
CHELPG
AIM
ESP

	x	y	z
x	3.446	0.370	0.000
y	0.370	8.088	0.000
z	0.000	0.000	2.044

<r²>	70.468
(<r²>)^1/2	8.395

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

using model chemistry: B3PW91/6-31G*

States and conformations

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