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	hartrees
Energy at 0K	-94.465054
Energy at 298.15K	-94.467974
HF Energy	-94.465054
Nuclear repulsion energy	32.836928

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'	3615	3453	30.33	67.81	0.70	0.82
2	A'	3443	3289	9.01	303.73	0.26	0.41
3	A'	2958	2826	108.80	146.99	0.62	0.76
4	A'	1712	1635	15.07	20.26	0.63	0.77
5	A'	1463	1398	18.73	11.98	0.31	0.47
6	A'	1396	1334	37.47	4.19	0.42	0.59
7	A'	1082	1034	24.06	7.07	0.58	0.74
8	A"	1162	1110	12.06	1.01	0.75	0.86
9	A"	830	793	188.38	0.13	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.788
N2	0.062	-0.523
H3	-1.006	1.089
H4	-0.753	-1.137
H5	0.947	-1.018

	C1	N2	H3	H4	H5
C1		1.3115	1.1099	2.0907	2.0107
N2	1.3115		1.9341	1.0206	1.0130
H3	1.1099	1.9341		2.2400	2.8723
H4	2.0907	1.0206	2.2400		1.7040
H5	2.0107	1.0130	2.8723	1.7040

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.952		C1	N2	H5	119.210
N2	C1	H3	105.715		H4	N2	H5	113.838

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/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	-0.222
2	N	-0.497
3	H	0.091
4	H	0.294
5	H	0.333

	x	y	z	Total
	-1.502	-3.390	0.000	3.708
CHELPG
AIM
ESP

	x	y	z
x	3.241	0.025	0.000
y	0.025	4.468	0.000
z	0.000	0.000	2.379

<r²>	20.074
(<r²>)^1/2	4.480

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)