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	hartrees
Energy at 0K	-93.313979
Energy at 298.15K	-93.316818
HF Energy	-93.313979
Nuclear repulsion energy	31.967529

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'	3790	3331	7.93	49.88	0.66	0.79
2	A'	3554	3124	3.93	101.57	0.19	0.32
3	A'	3131	2752	62.37	46.85	0.41	0.58
4	A'	1824	1603	9.30	18.76	0.64	0.78
5	A'	1529	1344	16.71	7.61	0.72	0.84
6	A'	1455	1279	11.99	6.60	0.17	0.29
7	A'	1103	970	12.93	4.64	0.55	0.71
8	A"	1206	1060	3.52	0.82	0.75	0.86
9	A"	774	680	174.11	1.18	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.818
N2	0.064	-0.530
H3	-1.054	1.047
H4	-0.752	-1.195
H5	0.972	-1.046

	C1	N2	H3	H4	H5
C1		1.3480	1.1410	2.1719	2.0729
N2	1.3480		1.9332	1.0528	1.0442
H3	1.1410	1.9332		2.2620	2.9126
H4	2.1719	1.0528	2.2620		1.7311
H5	2.0729	1.0442	2.9126	1.7311

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	129.139		C1	N2	H5	119.575
N2	C1	H3	101.596		H4	N2	H5	111.285

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/STO-3G

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	-0.073
2	N	-0.348
3	H	0.011
4	H	0.196
5	H	0.214

	x	y	z	Total
	-0.891	-2.906	0.000	3.039
CHELPG
AIM
ESP

	x	y	z
x	1.468	-0.276	0.000
y	-0.276	2.158	0.000
z	0.000	0.000	0.646

<r²>	19.523
(<r²>)^1/2	4.418

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)