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	hartrees
Energy at 0K	-186.578675
Energy at 298.15K
HF Energy	-186.578675
Nuclear repulsion energy	90.543764

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'	3170	3126	11.33	105.14	0.55	0.71
2	A'	3031	2989	20.32	115.00	0.16	0.28
3	A'	2156	2127	19.38	151.00	0.33	0.49
4	A'	1642	1619	19.99	25.02	0.26	0.41
5	A'	1499	1478	6.49	30.33	0.46	0.63
6	A'	1187	1170	5.00	6.08	0.74	0.85
7	A'	917	905	4.51	4.39	0.11	0.19
8	A'	545	537	2.28	5.29	0.47	0.64
9	A'	236	233	6.75	9.31	0.53	0.69
10	A"	1051	1036	31.69	0.04	0.75	0.86
11	A"	748	738	0.29	8.37	0.75	0.86
12	A"	320	316	5.42	1.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.141	-1.620
N2	-0.531	-0.510
C3	0.000	0.724
N4	0.294	1.883
H5	-0.427	-2.555
H6	1.240	-1.681

	C1	N2	C3	N4	H5	H6
C1		1.2977	2.3489	3.5066	1.0936	1.1008
N2	1.2977		1.3434	2.5309	2.0480	2.1226
C3	2.3489	1.3434		1.1953	3.3072	2.7056
N4	3.5066	2.5309	1.1953		4.4962	3.6867
H5	1.0936	2.0480	3.3072	4.4962		1.8822
H6	1.1008	2.1226	2.7056	3.6867	1.8822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	125.576	N2	C1	H5	117.587
N2	C1	H6	124.286	N2	C3	N4	170.979
H5	C1	H6	118.127

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

using model chemistry: PBEPBE/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	-0.106
2	N	-0.280
3	C	0.238
4	N	-0.226
5	H	0.194
6	H	0.181

	x	y	z	Total
	0.822	-4.248	0.000	4.327
CHELPG
AIM
ESP

	x	y	z
x	3.310	0.159	0.000
y	0.159	8.976	0.000
z	0.000	0.000	1.884

<r²>	73.888
(<r²>)^1/2	8.596

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

using model chemistry: PBEPBE/6-31G

States and conformations

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