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	hartrees
Energy at 0K	-94.554514
Energy at 298.15K	-94.557435
HF Energy	-94.554514
Nuclear repulsion energy	32.851224

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'	3621	3446	29.84	67.88	0.70	0.82
2	A'	3450	3284	8.66	298.06	0.26	0.41
3	A'	2964	2821	110.74	147.11	0.61	0.76
4	A'	1716	1634	15.43	19.73	0.63	0.77
5	A'	1461	1390	20.02	12.25	0.31	0.47
6	A'	1400	1333	36.82	3.66	0.47	0.64
7	A'	1085	1033	23.72	6.84	0.59	0.74
8	A"	1163	1107	12.02	1.03	0.75	0.86
9	A"	829	789	189.48	0.11	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.788
N2	0.062	-0.523
H3	-1.004	1.089
H4	-0.753	-1.136
H5	0.945	-1.018

	C1	N2	H3	H4	H5
C1		1.3116	1.1084	2.0894	2.0101
N2	1.3116		1.9333	1.0195	1.0119
H3	1.1084	1.9333		2.2388	2.8704
H4	2.0894	1.0195	2.2388		1.7022
H5	2.0101	1.0119	2.8704	1.7022

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.914		C1	N2	H5	119.236
N2	C1	H3	105.743		H4	N2	H5	113.851

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/6-31+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	-0.229
2	N	-0.490
3	H	0.091
4	H	0.295
5	H	0.333

	x	y	z	Total
	-1.501	-3.376	0.000	3.695
CHELPG
AIM
ESP

	x	y	z
x	3.211	0.011	0.000
y	0.011	4.434	0.000
z	0.000	0.000	2.365

<r²>	20.038
(<r²>)^1/2	4.476

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)