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	hartrees
Energy at 0K	-186.714703
Energy at 298.15K
HF Energy	-186.509972
Nuclear repulsion energy	91.694855

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'	3236	3113	3.36	82.88	0.59	0.74
2	A'	3103	2985	15.41	105.43	0.09	0.17
3	A'	2228	2143	23.13	216.00	0.24	0.38
4	A'	1676	1612	21.28	52.29	0.19	0.32
5	A'	1495	1438	15.55	26.13	0.35	0.52
6	A'	1221	1174	9.66	2.68	0.69	0.81
7	A'	944	908	5.52	2.09	0.06	0.11
8	A'	622	598	3.29	4.16	0.14	0.25
9	A'	250	241	5.95	8.44	0.47	0.64
10	A"	1095	1053	19.61	0.84	0.75	0.86
11	A"	770	740	0.91	1.96	0.75	0.86
12	A"	360	347	7.75	0.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.096	-1.560
N2	-0.620	-0.492
C3	0.000	0.709
N4	0.428	1.803
H5	-0.426	-2.518
H6	1.193	-1.553

	C1	N2	C3	N4	H5	H6
C1		1.2856	2.2702	3.3791	1.0915	1.0967
N2	1.2856		1.3512	2.5231	2.0354	2.1006
C3	2.2702	1.3512		1.1753	3.2546	2.5570
N4	3.3791	2.5231	1.1753		4.4048	3.4423
H5	1.0915	2.0354	3.2546	4.4048		1.8847
H6	1.0967	2.1006	2.5570	3.4423	1.8847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.833	N2	C1	H5	117.561
N2	C1	H6	123.512	N2	C3	N4	174.043
H5	C1	H6	118.926

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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