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	hartrees
Energy at 0K	-186.915438
Energy at 298.15K
HF Energy	-186.915438
Nuclear repulsion energy	92.232910

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'	3189	3189	8.11	92.06	0.59	0.74
2	A'	3067	3067	20.09	100.55	0.15	0.26
3	A'	2279	2279	26.45	176.46	0.30	0.46
4	A'	1684	1684	25.69	49.29	0.24	0.38
5	A'	1508	1508	12.59	30.07	0.44	0.61
6	A'	1222	1222	10.09	3.70	0.75	0.86
7	A'	955	955	6.03	1.37	0.03	0.05
8	A'	623	623	3.72	3.18	0.29	0.46
9	A'	249	249	5.52	9.52	0.54	0.70
10	A"	1088	1088	19.88	0.38	0.75	0.86
11	A"	779	779	1.41	5.20	0.75	0.86
12	A"	368	368	7.84	0.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.099	-1.560
N2	-0.599	-0.488
C3	0.000	0.709
N4	0.406	1.801
H5	-0.434	-2.507
H6	1.191	-1.577

	C1	N2	C3	N4	H5	H6
C1		1.2796	2.2718	3.3748	1.0870	1.0923
N2	1.2796		1.3389	2.4995	2.0262	2.0954
C3	2.2718	1.3389		1.1642	3.2461	2.5780
N4	3.3748	2.4995	1.1642		4.3892	3.4675
H5	1.0870	2.0262	3.2461	4.3892		1.8730
H6	1.0923	2.0954	2.5780	3.4675	1.8730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.351	N2	C1	H5	117.549
N2	C1	H6	123.938	N2	C3	N4	173.822
H5	C1	H6	118.514

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

using model chemistry: TPSSh/6-311G**

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	-0.005
2	N	-0.262
3	C	0.300
4	N	-0.314
5	H	0.146
6	H	0.133

	x	y	z	Total
	0.506	-4.386	0.000	4.415
CHELPG
AIM
ESP

	x	y	z
x	3.675	0.328	0.000
y	0.328	8.416	0.000
z	0.000	0.000	2.400

<r²>	70.595
(<r²>)^1/2	8.402

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

using model chemistry: TPSSh/6-311G**

States and conformations

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