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	hartrees
Energy at 0K	-186.868879
Energy at 298.15K
HF Energy	-186.868879
Nuclear repulsion energy	92.866863

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'	3207	3207	3.94	79.88	0.58	0.73
2	A'	3087	3087	15.23	94.76	0.10	0.18
3	A'	2353	2353	45.58	196.16	0.25	0.41
4	A'	1736	1736	38.30	56.88	0.21	0.35
5	A'	1509	1509	18.17	21.94	0.41	0.58
6	A'	1238	1238	10.91	2.90	0.72	0.83
7	A'	964	964	6.33	1.47	0.13	0.24
8	A'	647	647	5.10	3.25	0.17	0.29
9	A'	256	256	6.56	8.25	0.49	0.66
10	A"	1120	1120	18.36	0.61	0.75	0.86
11	A"	788	788	1.69	3.13	0.75	0.86
12	A"	382	382	9.14	0.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.084	-1.542
N2	-0.614	-0.484
C3	0.000	0.709
N4	0.437	1.774
H5	-0.438	-2.492
H6	1.173	-1.545

	C1	N2	C3	N4	H5	H6
C1		1.2674	2.2527	3.3346	1.0844	1.0893
N2	1.2674		1.3416	2.4902	2.0165	2.0782
C3	2.2527	1.3416		1.1508	3.2316	2.5412
N4	3.3346	2.4902	1.1508		4.3553	3.3996
H5	1.0844	2.0165	3.2316	4.3553		1.8690
H6	1.0893	2.0782	2.5412	3.3996	1.8690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.383	N2	C1	H5	117.845
N2	C1	H6	123.557	N2	C3	N4	175.089
H5	C1	H6	118.598

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

using model chemistry: wB97X-D/cc-pVQZ

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	0.117
2	N	-0.249
3	C	0.147
4	N	-0.195
5	H	0.124
6	H	0.056

	x	y	z	Total
	0.421	-4.547	0.000	4.567
CHELPG
AIM
ESP

	x	y	z
x	4.304	0.365	0.000
y	0.365	8.442	0.000
z	0.000	0.000	3.289

<r²>	69.701
(<r²>)^1/2	8.349

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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