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	hartrees
Energy at 0K	-185.759854
Energy at 298.15K
HF Energy	-185.759854
Nuclear repulsion energy	93.363287

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'	3391	3067	5.44	79.65	0.60	0.75
2	A'	3271	2958	14.81	77.26	0.15	0.26
3	A'	2579	2332	109.52	190.69	0.24	0.39
4	A'	1885	1705	80.06	71.89	0.19	0.31
5	A'	1625	1469	28.04	26.98	0.40	0.57
6	A'	1340	1212	11.34	3.18	0.75	0.86
7	A'	1018	920	6.90	1.76	0.11	0.19
8	A'	699	632	5.33	2.38	0.27	0.43
9	A'	280	253	8.21	9.82	0.59	0.74
10	A"	1250	1130	16.96	1.30	0.75	0.86
11	A"	842	761	3.25	9.19	0.75	0.86
12	A"	429	388	12.69	1.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.070	-1.526
N2	-0.631	-0.481
C3	0.000	0.712
N4	0.470	1.749
H5	-0.437	-2.475
H6	1.151	-1.523

	C1	N2	C3	N4	H5	H6
C1		1.2585	2.2394	3.2990	1.0763	1.0810
N2	1.2585		1.3498	2.4864	2.0041	2.0645
C3	2.2394	1.3498		1.1378	3.2176	2.5144
N4	3.2990	2.4864	1.1378		4.3204	3.3422
H5	1.0763	2.0041	3.2176	4.3204		1.8516
H6	1.0810	2.0645	2.5144	3.3422	1.8516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.273	N2	C1	H5	118.055
N2	C1	H6	123.706	N2	C3	N4	176.490
H5	C1	H6	118.238

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

using model chemistry: HF/6-31+G**

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	0.039
2	N	-0.307
3	C	0.321
4	N	-0.383
5	H	0.169
6	H	0.161

	x	y	z	Total
	0.637	-4.974	0.000	5.014
CHELPG
AIM
ESP

	x	y	z
x	3.883	0.333	0.000
y	0.333	7.873	0.000
z	0.000	0.000	2.749

<r²>	69.267
(<r²>)^1/2	8.323

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

using model chemistry: HF/6-31+G**

States and conformations

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