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	hartrees
Energy at 0K	-186.642916
Energy at 298.15K
HF Energy	-186.642916
Nuclear repulsion energy	91.405962

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'	3137	3094	8.24	91.85	0.58	0.73
2	A'	3013	2972	16.62	98.78	0.14	0.24
3	A'	2219	2188	15.24	149.04	0.33	0.49
4	A'	1653	1630	20.94	36.67	0.26	0.41
5	A'	1466	1446	6.74	27.31	0.44	0.61
6	A'	1185	1169	8.10	5.17	0.74	0.85
7	A'	949	936	5.11	2.31	0.07	0.13
8	A'	593	585	3.36	3.73	0.33	0.49
9	A'	237	234	4.98	8.91	0.52	0.68
10	A"	1032	1018	20.93	0.13	0.75	0.86
11	A"	753	743	0.89	7.23	0.75	0.86
12	A"	345	340	7.31	1.00	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.114	-1.577
N2	-0.590	-0.496
C3	0.000	0.709
N4	0.379	1.829
H5	-0.423	-2.533
H6	1.216	-1.597

	C1	N2	C3	N4	H5	H6
C1		1.2898	2.2888	3.4160	1.0967	1.1021
N2	1.2898		1.3422	2.5193	2.0435	2.1152
C3	2.2888	1.3422		1.1823	3.2696	2.6071
N4	3.4160	2.5193	1.1823		4.4351	3.5266
H5	1.0967	2.0435	3.2696	4.4351		1.8874
H6	1.1021	2.1152	2.6071	3.5266	1.8874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.811	N2	C1	H5	117.580
N2	C1	H6	124.148	N2	C3	N4	172.625
H5	C1	H6	118.272

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

using model chemistry: PBEPBEultrafine/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	-0.034
2	N	-0.341
3	C	0.500
4	N	-0.431
5	H	0.155
6	H	0.150

	x	y	z	Total
	0.515	-4.153	0.000	4.185
CHELPG
AIM
ESP

	x	y	z
x	3.521	0.351	0.000
y	0.351	8.558	0.000
z	0.000	0.000	2.096

<r²>	71.578
(<r²>)^1/2	8.460

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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