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	hartrees
Energy at 0K	-186.752603
Energy at 298.15K
HF Energy	-186.752603
Nuclear repulsion energy	90.346040

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'	3152	3128	14.00	108.30	0.54	0.70
2	A'	3015	2992	23.17	114.72	0.17	0.28
3	A'	2131	2115	17.09	148.58	0.33	0.49
4	A'	1620	1608	18.41	21.22	0.25	0.40
5	A'	1499	1488	8.16	36.65	0.44	0.61
6	A'	1189	1180	5.22	6.17	0.74	0.85
7	A'	896	889	4.31	3.84	0.09	0.17
8	A'	542	538	2.43	5.40	0.46	0.63
9	A'	237	235	6.21	9.14	0.53	0.69
10	A"	1048	1040	27.51	0.03	0.75	0.86
11	A"	744	738	0.15	8.77	0.75	0.86
12	A"	317	315	5.56	1.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.144	-1.623
N2	-0.534	-0.513
C3	0.000	0.727
N4	0.293	1.886
H5	-0.417	-2.561
H6	1.243	-1.679

	C1	N2	C3	N4	H5	H6
C1		1.3010	2.3545	3.5124	1.0929	1.1002
N2	1.3010		1.3503	2.5378	2.0513	2.1256
C3	2.3545	1.3503		1.1956	3.3143	2.7080
N4	3.5124	2.5378	1.1956		4.5034	3.6895
H5	1.0929	2.0513	3.3143	4.5034		1.8797
H6	1.1002	2.1256	2.7080	3.6895	1.8797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	125.247	N2	C1	H5	117.670
N2	C1	H6	124.346	N2	C3	N4	170.859
H5	C1	H6	117.985

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

using model chemistry: BLYP/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	-0.062
2	N	-0.247
3	C	0.184
4	N	-0.196
5	H	0.166
6	H	0.154

	x	y	z	Total
	0.804	-4.209	0.000	4.285
CHELPG
AIM
ESP

	x	y	z
x	3.306	0.137	0.000
y	0.137	8.983	0.000
z	0.000	0.000	1.872

<r²>	74.164
(<r²>)^1/2	8.612

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

using model chemistry: BLYP/6-31G

States and conformations

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