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	hartrees
Energy at 0K	-186.584439
Energy at 298.15K
HF Energy	-186.584439
Nuclear repulsion energy	91.452593

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'	3270	3128	8.59	96.28	0.55	0.71
2	A'	3130	2994	14.97	102.12	0.15	0.27
3	A'	2286	2187	36.83	170.82	0.31	0.48
4	A'	1728	1653	30.21	35.01	0.26	0.41
5	A'	1548	1481	9.38	28.96	0.46	0.63
6	A'	1233	1180	5.23	5.66	0.75	0.86
7	A'	951	910	4.98	2.46	0.07	0.13
8	A'	573	548	3.25	4.79	0.48	0.65
9	A'	242	232	7.76	9.62	0.54	0.70
10	A"	1118	1069	31.35	0.11	0.75	0.86
11	A"	778	745	0.59	9.82	0.75	0.86
12	A"	342	328	7.29	1.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.121	-1.602
N2	-0.541	-0.502
C3	0.000	0.723
N4	0.328	1.853
H5	-0.441	-2.529
H6	1.210	-1.661

	C1	N2	C3	N4	H5	H6
C1		1.2835	2.3273	3.4612	1.0843	1.0913
N2	1.2835		1.3386	2.5104	2.0296	2.1001
C3	2.3273	1.3386		1.1774	3.2813	2.6731
N4	3.4612	2.5104	1.1774		4.4493	3.6233
H5	1.0843	2.0296	3.2813	4.4493		1.8659
H6	1.0913	2.1001	2.6731	3.6233	1.8659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	125.126	N2	C1	H5	117.750
N2	C1	H6	124.142	N2	C3	N4	172.332
H5	C1	H6	118.108

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	-0.109
2	N	-0.324
3	C	0.263
4	N	-0.235
5	H	0.209
6	H	0.195

	x	y	z	Total
	0.885	-4.422	0.000	4.510
CHELPG
AIM
ESP

	x	y	z
x	3.228	0.186	0.000
y	0.186	8.513	0.000
z	0.000	0.000	1.848

<r²>	72.652
(<r²>)^1/2	8.524

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)