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	hartrees
Energy at 0K	-185.703385
Energy at 298.15K
HF Energy	-185.703385
Nuclear repulsion energy	91.006599

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'	3147	3147	16.21	94.60	0.54	0.70
2	A'	3017	3017	21.64	94.67	0.16	0.28
3	A'	2174	2174	9.31	120.32	0.34	0.50
4	A'	1612	1612	18.69	18.04	0.27	0.42
5	A'	1507	1507	10.94	38.37	0.41	0.58
6	A'	1198	1198	4.35	5.52	0.72	0.84
7	A'	894	894	3.75	3.01	0.08	0.14
8	A'	599	599	2.71	3.25	0.43	0.60
9	A'	255	255	6.76	9.05	0.53	0.69
10	A"	1058	1058	32.10	0.04	0.75	0.86
11	A"	778	778	0.78	8.62	0.75	0.86
12	A"	392	392	5.10	1.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.109	-1.602
N2	-0.565	-0.497
C3	0.000	0.723
N4	0.364	1.850
H5	-0.448	-2.539
H6	1.204	-1.659

	C1	N2	C3	N4	H5	H6
C1		1.2947	2.3269	3.4613	1.0902	1.0969
N2	1.2947		1.3438	2.5239	2.0461	2.1174
C3	2.3269	1.3438		1.1848	3.2924	2.6688
N4	3.4613	2.5239	1.1848		4.4637	3.6084
H5	1.0902	2.0461	3.2924	4.4637		1.8719
H6	1.0969	2.1174	2.6688	3.6084	1.8719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.736	N2	C1	H5	117.914
N2	C1	H6	124.374	N2	C3	N4	173.003
H5	C1	H6	117.712

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

using model chemistry: B97D3/3-21G*

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	-0.114
2	N	-0.499
3	C	0.576
4	N	-0.428
5	H	0.242
6	H	0.222

	x	y	z	Total
	0.707	-4.050	0.000	4.111
CHELPG
AIM
ESP

	x	y	z
x	3.003	0.273	0.000
y	0.273	8.161	0.000
z	0.000	0.000	1.645

<r²>	72.733
(<r²>)^1/2	8.528

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

using model chemistry: B97D3/3-21G*

States and conformations

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