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	hartrees
Energy at 0K	-186.831927
Energy at 298.15K
HF Energy	-186.831927
Nuclear repulsion energy	92.724949

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	3223	3.29	77.64	0.58	0.74
2	A'	3101	3101	11.49	83.39	0.14	0.25
3	A'	2393	2393	40.94	157.09	0.29	0.44
4	A'	1747	1747	41.21	49.12	0.23	0.37
5	A'	1512	1512	16.34	21.47	0.48	0.64
6	A'	1241	1241	9.70	3.69	0.75	0.86
7	A'	972	972	6.37	0.86	0.08	0.14
8	A'	651	651	4.32	2.18	0.29	0.45
9	A'	256	256	6.38	8.61	0.56	0.72
10	A"	1122	1122	20.22	0.26	0.75	0.86
11	A"	793	793	2.29	5.91	0.75	0.86
12	A"	390	390	9.51	0.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.078	-1.537
N2	-0.630	-0.482
C3	0.000	0.709
N4	0.459	1.766
H5	-0.438	-2.492
H6	1.169	-1.531

	C1	N2	C3	N4	H5	H6
C1		1.2707	2.2477	3.3250	1.0862	1.0912
N2	1.2707		1.3479	2.4982	2.0196	2.0830
C3	2.2477	1.3479		1.1522	3.2318	2.5272
N4	3.3250	2.4982	1.1522		4.3522	3.3729
H5	1.0862	2.0196	3.2318	4.3522		1.8732
H6	1.0912	2.0830	2.5272	3.3729	1.8732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.239	N2	C1	H5	117.726
N2	C1	H6	123.572	N2	C3	N4	175.598
H5	C1	H6	118.702

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

using model chemistry: M06-2X/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	-0.026
2	N	-0.270
3	C	0.280
4	N	-0.298
5	H	0.163
6	H	0.152

	x	y	z	Total
	0.508	-4.390	0.000	4.420
CHELPG
AIM
ESP

	x	y	z
x	3.639	0.371	0.000
y	0.371	7.790	0.000
z	0.000	0.000	2.365

<r²>	69.655
(<r²>)^1/2	8.346

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

using model chemistry: M06-2X/6-311G**

States and conformations

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