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	hartrees
Energy at 0K	-186.665017
Energy at 298.15K
HF Energy	-186.665017
Nuclear repulsion energy	92.309492

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'	3236	3090	4.02	89.63	0.60	0.75
2	A'	3108	2968	14.65	95.82	0.14	0.25
3	A'	2338	2232	42.86	224.81	0.27	0.42
4	A'	1734	1656	32.44	66.22	0.20	0.34
5	A'	1510	1441	12.09	24.94	0.44	0.61
6	A'	1230	1174	9.37	4.39	0.74	0.85
7	A'	981	936	6.52	1.71	0.05	0.10
8	A'	626	597	3.16	3.64	0.27	0.42
9	A'	250	238	6.28	10.58	0.55	0.71
10	A"	1101	1051	23.19	0.68	0.75	0.86
11	A"	781	745	1.25	5.87	0.75	0.86
12	A"	372	355	7.93	0.72	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.095	-1.555
N2	-0.605	-0.487
C3	0.000	0.707
N4	0.416	1.796
H5	-0.433	-2.506
H6	1.188	-1.564

	C1	N2	C3	N4	H5	H6
C1		1.2764	2.2638	3.3659	1.0881	1.0935
N2	1.2764		1.3388	2.5010	2.0262	2.0914
C3	2.2638	1.3388		1.1655	3.2423	2.5628
N4	3.3659	2.5010	1.1655		4.3850	3.4471
H5	1.0881	2.0262	3.2423	4.3850		1.8754
H6	1.0935	2.0914	2.5628	3.4471	1.8754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.890	N2	C1	H5	117.734
N2	C1	H6	123.711	N2	C3	N4	174.043
H5	C1	H6	118.554

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.097
2	N	-0.214
3	C	0.370
4	N	-0.416
5	H	0.182
6	H	0.175

	x	y	z	Total
	0.563	-4.559	0.000	4.594
CHELPG
AIM
ESP

	x	y	z
x	4.107	0.438	0.000
y	0.438	8.834	0.000
z	0.000	0.000	2.891

<r²>	70.657
(<r²>)^1/2	8.406

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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