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	hartrees
Energy at 0K	-186.657930
Energy at 298.15K
HF Energy	-186.657930
Nuclear repulsion energy	92.327304

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'	3232	3084	6.70	84.14	0.59	0.74
2	A'	3108	2966	13.80	89.64	0.13	0.23
3	A'	2349	2242	31.21	160.37	0.32	0.48
4	A'	1741	1662	34.47	44.26	0.26	0.41
5	A'	1514	1445	10.49	25.59	0.44	0.61
6	A'	1233	1176	9.09	4.96	0.75	0.86
7	A'	982	937	5.59	1.11	0.03	0.07
8	A'	626	597	4.41	2.99	0.33	0.49
9	A'	247	236	5.94	8.96	0.53	0.69
10	A"	1099	1049	20.04	0.09	0.75	0.86
11	A"	783	747	1.41	8.19	0.75	0.86
12	A"	372	355	9.51	0.86	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.092	-1.553
N2	-0.607	-0.487
C3	0.000	0.707
N4	0.421	1.794
H5	-0.435	-2.506
H6	1.185	-1.568

	C1	N2	C3	N4	H5	H6
C1		1.2754	2.2625	3.3631	1.0884	1.0934
N2	1.2754		1.3394	2.5014	2.0263	2.0931
C3	2.2625	1.3394		1.1652	3.2422	2.5650
N4	3.3631	2.5014	1.1652		4.3837	3.4468
H5	1.0884	2.0263	3.2422	4.3837		1.8724
H6	1.0934	2.0931	2.5650	3.4468	1.8724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.801	N2	C1	H5	117.791
N2	C1	H6	123.983	N2	C3	N4	174.238
H5	C1	H6	118.226

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

using model chemistry: HSEh1PBE/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	-0.033
2	N	-0.377
3	C	0.521
4	N	-0.444
5	H	0.170
6	H	0.163

	x	y	z	Total
	0.522	-4.348	0.000	4.379
CHELPG
AIM
ESP

	x	y	z
x	3.466	0.379	0.000
y	0.379	8.038	0.000
z	0.000	0.000	2.067

<r²>	70.223
(<r²>)^1/2	8.380

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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