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	hartrees
Energy at 0K	-186.808410
Energy at 298.15K
HF Energy	-186.551308
Nuclear repulsion energy	92.440550

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'	3220	3220	3.19	80.09	0.59	0.74
2	A'	3097	3097	15.80	95.91	0.10	0.19
3	A'	2246	2246	26.77	212.91	0.24	0.38
4	A'	1687	1687	23.51	53.30	0.18	0.31
5	A'	1510	1510	16.74	26.15	0.36	0.53
6	A'	1235	1235	10.28	2.94	0.68	0.81
7	A'	953	953	6.38	1.99	0.08	0.15
8	A'	630	630	4.29	3.96	0.15	0.26
9	A'	254	254	6.12	8.44	0.47	0.64
10	A"	1102	1102	18.89	1.02	0.75	0.86
11	A"	779	779	1.27	2.04	0.75	0.86
12	A"	372	372	8.56	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.091	-1.552
N2	-0.610	-0.487
C3	0.000	0.708
N4	0.425	1.790
H5	-0.431	-2.500
H6	1.179	-1.555

	C1	N2	C3	N4	H5	H6
C1		1.2751	2.2614	3.3583	1.0823	1.0875
N2	1.2751		1.3407	2.5002	2.0216	2.0831
C3	2.2614	1.3407		1.1624	3.2366	2.5514
N4	3.3583	2.5002	1.1624		4.3743	3.4288
H5	1.0823	2.0216	3.2366	4.3743		1.8661
H6	1.0875	2.0831	2.5514	3.4288	1.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.632	N2	C1	H5	117.854
N2	C1	H6	123.499	N2	C3	N4	174.386
H5	C1	H6	118.647

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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=FULLultrafine/6-311+G(3df,2p)

States and conformations

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