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	hartrees
Energy at 0K	-186.867604
Energy at 298.15K
HF Energy	-186.867604
Nuclear repulsion energy	91.607555

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'	3096	3084	9.80	100.94	0.58	0.73
2	A'	2974	2963	24.31	111.14	0.16	0.28
3	A'	2192	2183	16.30	169.36	0.30	0.47
4	A'	1617	1611	18.17	42.92	0.25	0.40
5	A'	1461	1456	9.95	31.47	0.44	0.61
6	A'	1185	1180	9.39	3.42	0.75	0.86
7	A'	925	922	5.80	1.66	0.03	0.06
8	A'	604	602	3.82	3.87	0.29	0.45
9	A'	247	246	4.93	9.58	0.53	0.69
10	A"	1038	1034	20.16	0.29	0.75	0.86
11	A"	754	751	1.40	4.77	0.75	0.86
12	A"	356	354	6.99	0.64	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.106	-1.577
N2	-0.589	-0.492
C3	0.000	0.715
N4	0.389	1.822
H5	-0.436	-2.527
H6	1.205	-1.603

	C1	N2	C3	N4	H5	H6
C1		1.2885	2.2940	3.4103	1.0935	1.0993
N2	1.2885		1.3429	2.5119	2.0405	2.1102
C3	2.2940	1.3429		1.1732	3.2706	2.6120
N4	3.4103	2.5119	1.1732		4.4259	3.5204
H5	1.0935	2.0405	3.2706	4.4259		1.8829
H6	1.0993	2.1102	2.6120	3.5204	1.8829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	121.318	N2	C1	H5	117.654
N2	C1	H6	124.005	N2	C3	N4	173.313
H5	C1	H6	118.341

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

using model chemistry: BLYP/6-311G**

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	-0.024
2	N	-0.195
3	C	0.173
4	N	-0.216
5	H	0.139
6	H	0.123

	x	y	z	Total
	0.470	-4.224	0.000	4.250
CHELPG
AIM
ESP

	x	y	z
x	3.750	0.303	0.000
y	0.303	8.745	0.000
z	0.000	0.000	2.434

<r²>	71.713
(<r²>)^1/2	8.468

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

using model chemistry: BLYP/6-311G**

States and conformations

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