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	hartrees
Energy at 0K	-186.801593
Energy at 298.15K
HF Energy	-186.801593
Nuclear repulsion energy	92.205856

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'	3223	3070	4.02	86.48	0.59	0.74
2	A'	3092	2946	12.64	93.27	0.13	0.23
3	A'	2361	2250	37.35	156.43	0.29	0.45
4	A'	1741	1658	36.74	48.02	0.25	0.40
5	A'	1488	1418	12.69	21.63	0.47	0.64
6	A'	1224	1166	10.52	3.68	0.75	0.86
7	A'	969	923	5.26	0.83	0.04	0.09
8	A'	637	607	3.92	2.32	0.26	0.42
9	A'	255	242	5.73	8.34	0.54	0.70
10	A"	1101	1048	17.19	0.22	0.75	0.86
11	A"	783	746	1.25	6.59	0.75	0.86
12	A"	380	362	8.08	0.53	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.087	-1.546
N2	-0.626	-0.487
C3	0.000	0.709
N4	0.445	1.783
H5	-0.435	-2.509
H6	1.187	-1.544

	C1	N2	C3	N4	H5	H6
C1		1.2765	2.2562	3.3485	1.0952	1.1003
N2	1.2765		1.3497	2.5103	2.0313	2.0990
C3	2.2562	1.3497		1.1631	3.2471	2.5466
N4	3.3485	2.5103	1.1631		4.3817	3.4097
H5	1.0952	2.0313	3.2471	4.3817		1.8867
H6	1.1003	2.0990	2.5466	3.4097	1.8867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.405	N2	C1	H5	117.639
N2	C1	H6	123.876	N2	C3	N4	174.832
H5	C1	H6	118.485

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.084
2	N	-0.171
3	C	0.057
4	N	-0.134
5	H	0.085
6	H	0.079

	x	y	z	Total
	0.459	-4.330	0.000	4.354
CHELPG
AIM
ESP

	x	y	z
x	3.535	0.325	0.000
y	0.325	7.805	0.000
z	0.000	0.000	2.252

<r²>	70.085
(<r²>)^1/2	8.372

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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