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	hartrees
Energy at 0K	-186.832426
Energy at 298.15K
HF Energy	-186.832426
Nuclear repulsion energy	92.681428

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'	3215	3215	8.65	81.01	0.59	0.74
2	A'	3091	3091	20.44	84.69	0.16	0.27
3	A'	2362	2362	43.01	167.05	0.29	0.45
4	A'	1742	1742	39.82	48.09	0.24	0.38
5	A'	1518	1518	15.71	24.74	0.47	0.63
6	A'	1247	1247	9.82	3.78	0.75	0.85
7	A'	969	969	6.68	0.89	0.10	0.18
8	A'	645	645	4.54	2.51	0.30	0.46
9	A'	256	256	6.53	9.01	0.55	0.71
10	A"	1108	1108	20.30	0.34	0.75	0.86
11	A"	788	788	2.00	6.30	0.75	0.86
12	A"	385	385	9.43	0.63	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.081	-1.543
N2	-0.619	-0.482
C3	0.000	0.710
N4	0.445	1.774
H5	-0.443	-2.495
H6	1.174	-1.550

	C1	N2	C3	N4	H5	H6
C1		1.2708	2.2538	3.3371	1.0872	1.0923
N2	1.2708		1.3431	2.4952	2.0205	2.0867
C3	2.2538	1.3431		1.1542	3.2352	2.5465
N4	3.3371	2.4952	1.1542		4.3610	3.4037
H5	1.0872	2.0205	3.2352	4.3610		1.8725
H6	1.0923	2.0867	2.5465	3.4037	1.8725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.106	N2	C1	H5	117.718
N2	C1	H6	123.846	N2	C3	N4	175.237
H5	C1	H6	118.436

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

using model chemistry: wB97X-D/6-311G*

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	-0.222
2	N	-0.238
3	C	0.243
4	N	-0.268
5	H	0.249
6	H	0.237

	x	y	z	Total
	0.497	-4.483	0.000	4.510
CHELPG
AIM
ESP

	x	y	z
x	3.635	0.352	0.000
y	0.352	7.915	0.000
z	0.000	0.000	2.342

<r²>	69.813
(<r²>)^1/2	8.355

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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