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	hartrees
Energy at 0K	-186.750769
Energy at 298.15K
HF Energy	-186.528933
Nuclear repulsion energy	92.211832

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'	3230	3230	8.65	84.70	0.59	0.75
2	A'	3105	3105	20.23	91.03	0.16	0.28
3	A'	2252	2252	19.90	155.24	0.29	0.45
4	A'	1690	1690	24.34	34.90	0.22	0.36
5	A'	1517	1517	15.29	29.27	0.43	0.60
6	A'	1244	1244	8.80	3.69	0.75	0.86
7	A'	951	951	6.21	0.96	0.04	0.08
8	A'	630	630	3.66	2.52	0.28	0.43
9	A'	253	253	5.76	8.84	0.54	0.70
10	A"	1091	1091	20.55	0.23	0.75	0.86
11	A"	780	780	1.39	5.68	0.75	0.86
12	A"	374	374	8.40	0.57	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.087	-1.551
N2	-0.620	-0.486
C3	0.000	0.708
N4	0.439	1.788
H5	-0.434	-2.503
H6	1.178	-1.557

	C1	N2	C3	N4	H5	H6
C1		1.2790	2.2613	3.3580	1.0853	1.0906
N2	1.2790		1.3454	2.5084	2.0257	2.0930
C3	2.2613	1.3454		1.1657	3.2405	2.5535
N4	3.3580	2.5084	1.1657		4.3791	3.4262
H5	1.0853	2.0257	3.2405	4.3791		1.8693
H6	1.0906	2.0930	2.5535	3.4262	1.8693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.983	N2	C1	H5	117.681
N2	C1	H6	123.886	N2	C3	N4	174.671
H5	C1	H6	118.433

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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/6-311G*

States and conformations

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