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	hartrees
Energy at 0K	-185.583010
Energy at 298.15K
HF Energy	-185.438833
Nuclear repulsion energy	91.167013

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	11.92	85.43	0.54	0.70
2	A'	3110	3110	14.61	85.22	0.15	0.27
3	A'	2197	2197	9.42	107.78	0.32	0.48
4	A'	1661	1661	18.86	11.12	0.26	0.41
5	A'	1545	1545	16.30	36.97	0.40	0.57
6	A'	1243	1243	3.95	5.40	0.74	0.85
7	A'	889	889	3.96	1.51	0.04	0.07
8	A'	611	611	3.05	2.56	0.45	0.62
9	A'	260	260	6.93	8.50	0.53	0.69
10	A"	1116	1116	28.44	0.00	0.75	0.86
11	A"	797	797	0.55	10.24	0.75	0.86
12	A"	400	400	6.50	0.97	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.100	-1.592
N2	-0.583	-0.498
C3	0.000	0.724
N4	0.390	1.837
H5	-0.440	-2.530
H6	1.189	-1.639

	C1	N2	C3	N4	H5	H6
C1		1.2896	2.3181	3.4411	1.0830	1.0893
N2	1.2896		1.3542	2.5298	2.0371	2.1071
C3	2.3181	1.3542		1.1793	3.2841	2.6452
N4	3.4411	2.5298	1.1793		4.4455	3.5665
H5	1.0830	2.0371	3.2841	4.4455		1.8568
H6	1.0893	2.1071	2.6452	3.5665	1.8568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	122.508	N2	C1	H5	118.062
N2	C1	H6	124.474	N2	C3	N4	173.824
H5	C1	H6	117.464

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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/3-21G

States and conformations

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