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	hartrees
Energy at 0K	-186.605985
Energy at 298.15K
HF Energy	-185.814160
Nuclear repulsion energy	92.607287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3246	2.96
2	A'	3126	3126	12.38
3	A'	2339	2339	30.94
4	A'	1728	1728	26.89
5	A'	1520	1520	17.42
6	A'	1252	1252	9.84
7	A'	957	957	5.98
8	A'	643	643	4.04
9	A'	259	259	6.59
10	A"	1115	1115	18.16
11	A"	788	788	1.08
12	A"	383	383	10.01

Atom	x (Å)	y (Å)
C1	0.084	-1.537
N2	-0.633	-0.486
C3	0.000	0.708
N4	0.454	1.771
H5	-0.422	-2.494
H6	1.171	-1.522

	C1	N2	C3	N4	H5	H6
C1		1.2724	2.2471	3.3286	1.0819	1.0870
N2	1.2724		1.3514	2.5045	2.0191	2.0802
C3	2.2471	1.3514		1.1553	3.2297	2.5192
N4	3.3286	2.5045	1.1553		4.3534	3.3702
H5	1.0819	2.0191	3.2297	4.3534		1.8654
H6	1.0870	2.0802	2.5192	3.3702	1.8654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.801	N2	C1	H5	117.864
N2	C1	H6	123.492	N2	C3	N4	175.212
H5	C1	H6	118.644

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

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

States and conformations

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