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	hartrees
Energy at 0K	-186.790680
Energy at 298.15K
HF Energy	-186.790680
Nuclear repulsion energy	92.302883

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'	3235	3235	7.10	83.37	0.58	0.74
2	A'	3110	3110	13.97	86.79	0.13	0.23
3	A'	2366	2366	37.90	151.96	0.31	0.48
4	A'	1750	1750	38.45	41.12	0.25	0.40
5	A'	1519	1519	12.71	25.91	0.43	0.60
6	A'	1242	1242	8.93	4.79	0.75	0.86
7	A'	971	971	5.73	0.80	0.06	0.12
8	A'	631	631	4.28	2.63	0.33	0.50
9	A'	249	249	6.65	8.67	0.54	0.70
10	A"	1113	1113	20.10	0.07	0.75	0.86
11	A"	785	785	1.40	8.96	0.75	0.86
12	A"	374	374	10.27	0.84	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.087	-1.548
N2	-0.622	-0.487
C3	0.000	0.709
N4	0.440	1.785
H5	-0.432	-2.503
H6	1.180	-1.551

	C1	N2	C3	N4	H5	H6
C1		1.2754	2.2585	3.3513	1.0877	1.0926
N2	1.2754		1.3482	2.5080	2.0250	2.0917
C3	2.2585	1.3482		1.1623	3.2415	2.5493
N4	3.3513	2.5080	1.1623		4.3761	3.4167
H5	1.0877	2.0250	3.2415	4.3761		1.8723
H6	1.0926	2.0917	2.5493	3.4167	1.8723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.799	N2	C1	H5	117.732
N2	C1	H6	123.912	N2	C3	N4	174.803
H5	C1	H6	118.357

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

using model chemistry: wB97X-D/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	-0.029
2	N	-0.376
3	C	0.505
4	N	-0.435
5	H	0.171
6	H	0.164

	x	y	z	Total
	0.541	-4.405	0.000	4.439
CHELPG
AIM
ESP

	x	y	z
x	3.476	0.382	0.000
y	0.382	7.845	0.000
z	0.000	0.000	2.064

<r²>	70.070
(<r²>)^1/2	8.371

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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