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	hartrees
Energy at 0K	-94.564376
Energy at 298.15K	-94.567300
HF Energy	-94.564376
Nuclear repulsion energy	32.928205

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'	3601	3437	10.00	90.43	0.62	0.76
2	A'	3428	3272	24.18	295.23	0.30	0.46
3	A'	2938	2804	129.88	157.33	0.50	0.66
4	A'	1753	1673	11.27	23.11	0.46	0.63
5	A'	1467	1400	13.60	7.20	0.45	0.62
6	A'	1418	1353	19.49	3.26	0.55	0.71
7	A'	1098	1048	26.35	9.76	0.55	0.71
8	A"	1177	1123	12.87	0.98	0.75	0.86
9	A"	825	787	195.51	0.87	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.521
H3	-1.006	1.084
H4	-0.752	-1.133
H5	0.942	-1.018

	C1	N2	H3	H4	H5
C1		1.3070	1.1094	2.0847	2.0070
N2	1.3070		1.9286	1.0186	1.0103
H3	1.1094	1.9286		2.2321	2.8663
H4	2.0847	1.0186	2.2321		1.6979
H5	2.0070	1.0103	2.8663	1.6979

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.929		C1	N2	H5	119.455
N2	C1	H3	105.607		H4	N2	H5	113.616

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/6-311G*

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	-0.213
2	N	-0.627
3	H	0.154
4	H	0.327
5	H	0.360

	x	y	z	Total
	-1.315	-3.261	0.000	3.516
CHELPG
AIM
ESP

	x	y	z
x	2.882	-0.150	0.000
y	-0.150	3.878	0.000
z	0.000	0.000	1.714

<r²>	19.695
(<r²>)^1/2	4.438

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)