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	hartrees
Energy at 0K	-186.850529
Energy at 298.15K
HF Energy	-186.850529
Nuclear repulsion energy	92.771844

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'	3216	3072	4.47	84.44	0.58	0.73
2	A'	3091	2952	14.75	94.59	0.14	0.25
3	A'	2364	2257	49.25	193.92	0.27	0.42
4	A'	1743	1664	39.13	55.90	0.21	0.35
5	A'	1519	1450	15.85	25.97	0.42	0.59
6	A'	1243	1187	8.44	4.46	0.75	0.86
7	A'	965	921	7.28	1.24	0.18	0.30
8	A'	640	611	3.50	2.84	0.30	0.46
9	A'	255	244	6.77	10.25	0.58	0.73
10	A"	1128	1077	19.06	0.42	0.75	0.86
11	A"	788	752	1.64	6.41	0.75	0.86
12	A"	380	363	9.94	0.71	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.082	-1.543
N2	-0.614	-0.483
C3	0.000	0.710
N4	0.440	1.775
H5	-0.444	-2.493
H6	1.173	-1.553

	C1	N2	C3	N4	H5	H6
C1		1.2685	2.2547	3.3379	1.0857	1.0913
N2	1.2685		1.3418	2.4924	2.0173	2.0832
C3	2.2547	1.3418		1.1528	3.2336	2.5488
N4	3.3379	2.4924	1.1528		4.3590	3.4079
H5	1.0857	2.0173	3.2336	4.3590		1.8706
H6	1.0913	2.0832	2.5488	3.4079	1.8706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.457	N2	C1	H5	117.733
N2	C1	H6	123.793	N2	C3	N4	175.203
H5	C1	H6	118.473

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

using model chemistry: wB97X-D/TZVP

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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Number	Element	Mulliken
1	C	-0.077
2	N	-0.106
3	C	0.058
4	N	-0.167
5	H	0.159
6	H	0.133

	x	y	z	Total
	0.543	-4.525	0.000	4.558
CHELPG
AIM
ESP

	x	y	z
x	3.948	0.407	0.000
y	0.407	8.359	0.000
z	0.000	0.000	2.746

<r²>	69.918
(<r²>)^1/2	8.362

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

using model chemistry: wB97X-D/TZVP

States and conformations

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