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	hartrees
Energy at 0K	-186.651884
Energy at 298.15K
HF Energy	-186.651884
Nuclear repulsion energy	91.386718

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'	3142	3106	5.14	100.18	0.60	0.75
2	A'	3013	2979	18.09	110.16	0.15	0.26
3	A'	2208	2183	24.03	218.33	0.28	0.43
4	A'	1646	1627	18.80	60.25	0.20	0.34
5	A'	1460	1443	7.96	26.65	0.44	0.62
6	A'	1182	1169	8.52	4.19	0.74	0.85
7	A'	947	937	6.11	2.73	0.00	0.00
8	A'	592	586	2.27	4.55	0.29	0.45
9	A'	240	237	5.46	10.88	0.55	0.71
10	A"	1035	1023	24.93	0.64	0.75	0.86
11	A"	750	742	0.81	4.65	0.75	0.86
12	A"	345	341	6.03	0.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.117	-1.578
N2	-0.589	-0.497
C3	0.000	0.709
N4	0.375	1.831
H5	-0.421	-2.533
H6	1.219	-1.591

	C1	N2	C3	N4	H5	H6
C1		1.2909	2.2901	3.4185	1.0963	1.1022
N2	1.2909		1.3419	2.5190	2.0435	2.1129
C3	2.2901	1.3419		1.1826	3.2697	2.6033
N4	3.4185	2.5190	1.1826		4.4361	3.5246
H5	1.0963	2.0435	3.2697	4.4361		1.8912
H6	1.1022	2.1129	2.6033	3.5246	1.8912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.866	N2	C1	H5	117.515
N2	C1	H6	123.804	N2	C3	N4	172.452
H5	C1	H6	118.681

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

using model chemistry: PBEPBEultrafine/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	-0.126
2	N	-0.192
3	C	0.377
4	N	-0.410
5	H	0.179
6	H	0.172

	x	y	z	Total
	0.566	-4.409	0.000	4.445
CHELPG
AIM
ESP

	x	y	z
x	4.277	0.421	0.000
y	0.421	9.546	0.000
z	0.000	0.000	3.018

<r²>	72.110
(<r²>)^1/2	8.492

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

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

States and conformations

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