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	hartrees
Energy at 0K	-185.816595
Energy at 298.15K
HF Energy	-185.816595
Nuclear repulsion energy	93.790381

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'	3348	3042	4.88	70.77	0.58	0.74
2	A'	3237	2941	16.67	77.61	0.10	0.18
3	A'	2565	2331	109.45	190.01	0.21	0.34
4	A'	1868	1698	79.64	67.95	0.18	0.31
5	A'	1618	1470	35.34	22.14	0.36	0.53
6	A'	1338	1216	13.18	2.04	0.73	0.84
7	A'	1012	920	6.69	2.16	0.10	0.17
8	A'	716	651	7.52	2.58	0.11	0.20
9	A'	287	261	7.97	7.43	0.49	0.66
10	A"	1252	1138	15.31	2.09	0.75	0.86
11	A"	845	768	3.72	3.57	0.75	0.86
12	A"	443	402	12.62	0.60	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.069	-1.520
N2	-0.627	-0.478
C3	0.000	0.712
N4	0.465	1.741
H5	-0.435	-2.470
H6	1.149	-1.518

	C1	N2	C3	N4	H5	H6
C1		1.2527	2.2332	3.2846	1.0756	1.0799
N2	1.2527		1.3454	2.4731	2.0007	2.0577
C3	2.2332	1.3454		1.1288	3.2117	2.5087
N4	3.2846	2.4731	1.1288		4.3057	3.3294
H5	1.0756	2.0007	3.2117	4.3057		1.8485
H6	1.0799	2.0577	2.5087	3.3294	1.8485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.498	N2	C1	H5	118.279
N2	C1	H6	123.631	N2	C3	N4	176.590
H5	C1	H6	118.090

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.321
2	N	-0.872
3	C	1.368
4	N	-1.152
5	H	0.169
6	H	0.167

	x	y	z	Total
	0.476	-4.959	0.000	4.982
CHELPG
AIM
ESP

	x	y	z
x	4.253	0.268	0.000
y	0.268	7.884	0.000
z	0.000	0.000	3.405

<r²>	68.691
(<r²>)^1/2	8.288

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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