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	hartrees
Energy at 0K	-186.835341
Energy at 298.15K
HF Energy	-186.835341
Nuclear repulsion energy	92.678548

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'	3207	3067	5.76	81.87	0.59	0.74
2	A'	3083	2949	16.45	88.26	0.15	0.26
3	A'	2361	2258	42.18	168.34	0.29	0.45
4	A'	1737	1661	38.27	50.61	0.24	0.39
5	A'	1508	1443	15.84	23.13	0.47	0.64
6	A'	1236	1182	9.95	3.63	0.75	0.86
7	A'	968	926	6.51	0.88	0.10	0.18
8	A'	643	615	4.52	2.52	0.30	0.46
9	A'	256	245	6.50	9.05	0.55	0.71
10	A"	1115	1066	19.54	0.36	0.75	0.86
11	A"	788	754	1.95	5.93	0.75	0.86
12	A"	384	368	9.50	0.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.082	-1.543
N2	-0.619	-0.482
C3	0.000	0.709
N4	0.445	1.775
H5	-0.443	-2.495
H6	1.174	-1.549

	C1	N2	C3	N4	H5	H6
C1		1.2711	2.2539	3.3373	1.0870	1.0922
N2	1.2711		1.3432	2.4952	2.0204	2.0861
C3	2.2539	1.3432		1.1542	3.2351	2.5452
N4	3.3373	2.4952	1.1542		4.3610	3.4024
H5	1.0870	2.0204	3.2351	4.3610		1.8731
H6	1.0922	2.0861	2.5452	3.4024	1.8731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	119.093	N2	C1	H5	117.709
N2	C1	H6	123.768	N2	C3	N4	175.215
H5	C1	H6	118.523

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.023
2	N	-0.246
3	C	0.238
4	N	-0.268
5	H	0.156
6	H	0.143

	x	y	z	Total
	0.498	-4.474	0.000	4.502
CHELPG
AIM
ESP

	x	y	z
x	3.655	0.348	0.000
y	0.348	7.954	0.000
z	0.000	0.000	2.389

<r²>	69.804
(<r²>)^1/2	8.355

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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