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	hartrees
Energy at 0K	-186.729917
Energy at 298.15K
HF Energy	-186.499424
Nuclear repulsion energy	92.266786

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'	3235	3235	4.87	75.19	0.59	0.74
2	A'	3114	3114	12.72	81.30	0.13	0.23
3	A'	2263	2263	18.02	147.09	0.29	0.45
4	A'	1697	1697	26.88	34.28	0.24	0.38
5	A'	1514	1514	12.32	25.68	0.41	0.58
6	A'	1233	1233	9.51	3.82	0.75	0.86
7	A'	954	954	5.25	1.20	0.01	0.03
8	A'	633	633	5.43	2.40	0.22	0.36
9	A'	255	255	5.62	7.77	0.49	0.66
10	A"	1099	1099	16.29	0.07	0.75	0.86
11	A"	790	790	1.46	5.63	0.75	0.86
12	A"	394	394	9.44	0.51	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.087	-1.553
N2	-0.613	-0.485
C3	0.000	0.708
N4	0.433	1.791
H5	-0.437	-2.504
H6	1.177	-1.563

	C1	N2	C3	N4	H5	H6
C1		1.2771	2.2628	3.3623	1.0852	1.0897
N2	1.2771		1.3416	2.5054	2.0262	2.0895
C3	2.2628	1.3416		1.1666	3.2412	2.5577
N4	3.3623	2.5054	1.1666		4.3821	3.4357
H5	1.0852	2.0262	3.2412	4.3821		1.8675
H6	1.0897	2.0895	2.5577	3.4357	1.8675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.541	N2	C1	H5	117.898
N2	C1	H6	123.769	N2	C3	N4	174.584
H5	C1	H6	118.334

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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