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	hartrees
Energy at 0K	-186.811397
Energy at 298.15K
HF Energy	-186.559609
Nuclear repulsion energy	92.427479

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'	3221	3221	4.06	81.53	0.58	0.73
2	A'	3098	3098	15.99	99.95	0.12	0.21
3	A'	2246	2246	22.99	185.86	0.26	0.42
4	A'	1687	1687	23.49	43.92	0.21	0.34
5	A'	1512	1512	16.12	28.47	0.37	0.54
6	A'	1236	1236	9.96	3.40	0.74	0.85
7	A'	951	951	6.12	1.49	0.06	0.12
8	A'	632	632	4.19	3.16	0.19	0.32
9	A'	254	254	5.84	8.79	0.51	0.67
10	A"	1105	1105	18.15	0.44	0.75	0.86
11	A"	781	781	1.23	3.26	0.75	0.86
12	A"	375	375	8.49	0.32	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.089	-1.551
N2	-0.612	-0.486
C3	0.000	0.708
N4	0.430	1.788
H5	-0.433	-2.499
H6	1.176	-1.554

	C1	N2	C3	N4	H5	H6
C1		1.2752	2.2608	3.3565	1.0820	1.0871
N2	1.2752		1.3419	2.5017	2.0209	2.0830
C3	2.2608	1.3419		1.1626	3.2360	2.5494
N4	3.3565	2.5017	1.1626		4.3730	3.4242
H5	1.0820	2.0209	3.2360	4.3730		1.8658
H6	1.0871	2.0830	2.5494	3.4242	1.8658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.484	N2	C1	H5	117.808
N2	C1	H6	123.518	N2	C3	N4	174.567
H5	C1	H6	118.674

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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/Def2TZVPP

States and conformations

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