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	hartrees
Energy at 0K	-94.531423
Energy at 298.15K	-94.534332
HF Energy	-94.531423
Nuclear repulsion energy	32.769272

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'	3579	3579	24.45	96.14	0.64	0.78
2	A'	3426	3426	2.33	229.43	0.24	0.38
3	A'	2939	2939	127.98	172.91	0.43	0.60
4	A'	1662	1662	18.88	14.75	0.54	0.70
5	A'	1463	1463	11.61	11.48	0.32	0.48
6	A'	1387	1387	17.83	5.51	0.66	0.79
7	A'	1061	1061	19.41	6.11	0.53	0.69
8	A"	1161	1161	12.22	1.17	0.75	0.86
9	A"	798	798	153.22	0.73	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.523
H3	-1.016	1.083
H4	-0.757	-1.136
H5	0.951	-1.022

	C1	N2	H3	H4	H5
C1		1.3119	1.1184	2.0930	2.0171
N2	1.3119		1.9344	1.0244	1.0185
H3	1.1184	1.9344		2.2342	2.8808
H4	2.0930	1.0244	2.2342		1.7116
H5	2.0171	1.0185	2.8808	1.7116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.806		C1	N2	H5	119.365
N2	C1	H3	105.214		H4	N2	H5	113.828

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: M06-2X/cc-pVDZ

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	-0.202
2	N	-0.061
3	H	0.023
4	H	0.106
5	H	0.134

	x	y	z	Total
	-1.240	-3.255	0.000	3.483
CHELPG
AIM
ESP

	x	y	z
x	2.836	-0.267	0.000
y	-0.267	3.706	0.000
z	0.000	0.000	1.592

<r²>	19.734
(<r²>)^1/2	4.442

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)