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	hartrees
Energy at 0K	-184.376169
Energy at 298.15K
HF Energy	-184.376169
Nuclear repulsion energy	87.816668

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'	3379	3126	3.03	51.08	0.64	0.78
2	A'	3206	2966	11.92	42.90	0.12	0.21
3	A'	2133	1974	19.36	66.45	0.31	0.47
4	A'	1616	1495	5.57	9.04	0.29	0.45
5	A'	1454	1345	8.59	34.60	0.39	0.56
6	A'	1172	1085	1.23	5.33	0.75	0.86
7	A'	807	747	0.36	1.20	0.03	0.06
8	A'	584	540	1.90	2.06	0.37	0.54
9	A'	228	211	4.26	4.68	0.52	0.68
10	A"	972	900	20.17	0.04	0.75	0.86
11	A"	776	718	0.08	5.37	0.75	0.86
12	A"	298	276	4.97	0.20	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.189	-1.605
N2	-0.650	-0.557
C3	0.000	0.728
N4	0.341	1.904
H5	-0.279	-2.615
H6	1.305	-1.554

	C1	N2	C3	N4	H5	H6
C1		1.3426	2.3404	3.5121	1.1131	1.1165
N2	1.3426		1.4397	2.6528	2.0911	2.1940
C3	2.3404	1.4397		1.2245	3.3543	2.6281
N4	3.5121	2.6528	1.2245		4.5610	3.5892
H5	1.1131	2.0911	3.3543	4.5610		1.9062
H6	1.1165	2.1940	2.6281	3.5892	1.9062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	114.483	N2	C1	H5	116.440
N2	C1	H6	126.052	N2	C3	N4	169.346
H5	C1	H6	117.507

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

using model chemistry: BLYP/STO-3G

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	-0.012
2	N	-0.161
3	C	0.116
4	N	-0.161
5	H	0.112
6	H	0.106

	x	y	z	Total
	0.831	-3.146	0.000	3.254
CHELPG
AIM
ESP

	x	y	z
x	1.812	0.156	0.000
y	0.156	5.922	0.000
z	0.000	0.000	0.886

<r²>	74.654
(<r²>)^1/2	8.640

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

using model chemistry: BLYP/STO-3G

States and conformations

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