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	hartrees
Energy at 0K	-186.792361
Energy at 298.15K
HF Energy	-186.792361
Nuclear repulsion energy	91.198345

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'	3242	3119	10.44	99.70	0.54	0.70
2	A'	3105	2987	16.83	103.27	0.16	0.27
3	A'	2251	2166	31.08	165.18	0.32	0.48
4	A'	1700	1636	27.83	31.16	0.26	0.41
5	A'	1543	1484	9.92	32.81	0.45	0.62
6	A'	1228	1182	5.46	5.74	0.75	0.85
7	A'	931	895	4.75	2.34	0.06	0.12
8	A'	566	544	3.31	4.86	0.47	0.64
9	A'	241	232	7.18	9.47	0.54	0.70
10	A"	1105	1063	27.88	0.06	0.75	0.86
11	A"	770	741	0.38	9.90	0.75	0.86
12	A"	336	324	7.24	1.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.123	-1.606
N2	-0.543	-0.504
C3	0.000	0.725
N4	0.327	1.859
H5	-0.436	-2.536
H6	1.214	-1.663

	C1	N2	C3	N4	H5	H6
C1		1.2874	2.3341	3.4706	1.0850	1.0921
N2	1.2874		1.3441	2.5181	2.0345	2.1048
C3	2.3341	1.3441		1.1798	3.2900	2.6790
N4	3.4706	2.5181	1.1798		4.4604	3.6320
H5	1.0850	2.0345	3.2900	4.4604		1.8659
H6	1.0921	2.1048	2.6790	3.6320	1.8659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	124.984	N2	C1	H5	117.835
N2	C1	H6	124.189	N2	C3	N4	172.230
H5	C1	H6	117.976

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

using model chemistry: B3LYP/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	-0.072
2	N	-0.286
3	C	0.209
4	N	-0.204
5	H	0.183
6	H	0.171

	x	y	z	Total
	0.849	-4.361	0.000	4.443
CHELPG
AIM
ESP

	x	y	z
x	3.232	0.178	0.000
y	0.178	8.562	0.000
z	0.000	0.000	1.842

<r²>	72.995
(<r²>)^1/2	8.544

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

using model chemistry: B3LYP/6-31G

States and conformations

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