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	hartrees
Energy at 0K	-94.537096
Energy at 298.15K	-94.540006
HF Energy	-94.537096
Nuclear repulsion energy	32.812185

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'	3587	3402	9.97	102.95	0.56	0.72
2	A'	3415	3238	21.33	289.91	0.28	0.44
3	A'	2937	2785	136.12	129.80	0.46	0.63
4	A'	1736	1647	8.54	28.01	0.43	0.60
5	A'	1467	1392	14.06	7.44	0.47	0.64
6	A'	1415	1342	20.28	6.43	0.63	0.78
7	A'	1087	1031	25.84	11.04	0.56	0.71
8	A"	1171	1111	10.70	1.21	0.75	0.86
9	A"	803	761	200.44	0.86	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.790
N2	0.062	-0.522
H3	-1.011	1.082
H4	-0.747	-1.147
H5	0.948	-1.017

	C1	N2	H3	H4	H5
C1		1.3121	1.1121	2.0991	2.0121
N2	1.3121		1.9299	1.0222	1.0141
H3	1.1121	1.9299		2.2446	2.8706
H4	2.0991	1.0222	2.2446		1.6992
H5	2.0121	1.0141	2.8706	1.6992

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.683		C1	N2	H5	119.204
N2	C1	H3	105.226		H4	N2	H5	113.113

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/6-31G*

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	-0.154
2	N	-0.658
3	H	0.109
4	H	0.336
5	H	0.367

	x	y	z	Total
	-1.199	-3.209	0.000	3.426
CHELPG
AIM
ESP

	x	y	z
x	2.713	-0.240	0.000
y	-0.240	3.671	0.000
z	0.000	0.000	1.422

<r²>	19.621
(<r²>)^1/2	4.430

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)