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	hartrees
Energy at 0K	-186.889739
Energy at 298.15K
HF Energy	-186.889739
Nuclear repulsion energy	91.774692

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'	3100	3090	5.64	96.55	0.57	0.73
2	A'	2982	2972	21.92	122.50	0.11	0.20
3	A'	2184	2176	22.67	236.01	0.24	0.39
4	A'	1619	1613	17.17	59.17	0.22	0.35
5	A'	1462	1457	11.19	32.46	0.36	0.53
6	A'	1187	1183	10.64	2.80	0.64	0.78
7	A'	924	920	6.14	2.58	0.01	0.02
8	A'	605	603	4.42	6.22	0.18	0.30
9	A'	247	246	5.34	9.45	0.45	0.62
10	A"	1045	1041	19.42	0.98	0.75	0.86
11	A"	753	751	1.28	1.46	0.75	0.86
12	A"	350	349	7.01	0.24	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.109	-1.577
N2	-0.581	-0.494
C3	0.000	0.714
N4	0.377	1.822
H5	-0.431	-2.525
H6	1.205	-1.600

	C1	N2	C3	N4	H5	H6
C1		1.2850	2.2943	3.4104	1.0906	1.0962
N2	1.2850		1.3406	2.5066	2.0366	2.1014
C3	2.2943	1.3406		1.1706	3.2676	2.6094
N4	3.4104	2.5066	1.1706		4.4217	3.5212
H5	1.0906	2.0366	3.2676	4.4217		1.8796
H6	1.0962	2.1014	2.6094	3.5212	1.8796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	121.794	N2	C1	H5	117.791
N2	C1	H6	123.692	N2	C3	N4	173.102
H5	C1	H6	118.518

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

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.444
2	N	-0.030
3	C	0.059
4	N	-0.341
5	H	0.373
6	H	0.383

	x	y	z	Total
	0.444	-4.400	0.000	4.422
CHELPG
AIM
ESP

	x	y	z
x	4.835	0.336	0.000
y	0.336	9.691	0.000
z	0.000	0.000	3.821

<r²>	71.878
(<r²>)^1/2	8.478

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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