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	hartrees
Energy at 0K	-185.672657
Energy at 298.15K
HF Energy	-185.672657
Nuclear repulsion energy	92.156441

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'	3450	3105	10.48	84.90	0.52	0.68
2	A'	3310	2979	25.84	82.59	0.16	0.28
3	A'	2501	2251	105.05	214.38	0.25	0.40
4	A'	1853	1668	54.04	74.24	0.23	0.37
5	A'	1644	1479	26.99	36.25	0.47	0.64
6	A'	1325	1192	6.53	5.02	0.73	0.84
7	A'	978	880	5.53	2.75	0.09	0.17
8	A'	681	613	6.92	3.30	0.55	0.71
9	A'	278	250	9.24	11.14	0.59	0.74
10	A"	1265	1138	27.68	3.61	0.75	0.86
11	A"	850	765	1.39	13.61	0.75	0.86
12	A"	429	386	11.65	1.67	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.085	-1.580
N2	-0.577	-0.493
C3	0.000	0.731
N4	0.404	1.812
H5	-0.463	-2.501
H6	1.162	-1.630

	C1	N2	C3	N4	H5	H6
C1		1.2724	2.3122	3.4066	1.0717	1.0786
N2	1.2724		1.3531	2.5050	2.0113	2.0780
C3	2.3122	1.3531		1.1540	3.2648	2.6316
N4	3.4066	2.5050	1.1540		4.3991	3.5245
H5	1.0717	2.0113	3.2648	4.3991		1.8436
H6	1.0786	2.0780	2.6316	3.5245	1.8436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	123.417	N2	C1	H5	117.931
N2	C1	H6	124.020	N2	C3	N4	175.259
H5	C1	H6	118.048

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

using model chemistry: HF/LANL2DZ

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	-0.221
2	N	-0.140
3	C	0.041
4	N	-0.100
5	H	0.219
6	H	0.201

	x	y	z	Total
	1.071	-4.894	0.000	5.010
CHELPG
AIM
ESP

	x	y	z
x	3.179	0.152	0.000
y	0.152	8.065	0.000
z	0.000	0.000	1.981

<r²>	71.978
(<r²>)^1/2	8.484

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

using model chemistry: HF/LANL2DZ

States and conformations

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