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	hartrees
Energy at 0K	-94.474333
Energy at 298.15K	-94.477258
HF Energy	-94.474333
Nuclear repulsion energy	32.911821

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'	3597	3448	10.58	91.41	0.62	0.77
2	A'	3424	3281	24.57	304.48	0.30	0.46
3	A'	2934	2812	128.99	160.05	0.50	0.66
4	A'	1749	1676	11.03	23.68	0.46	0.63
5	A'	1469	1408	12.04	7.03	0.43	0.60
6	A'	1415	1356	20.38	3.39	0.59	0.74
7	A'	1095	1050	26.55	10.06	0.54	0.70
8	A"	1175	1126	12.96	1.00	0.75	0.86
9	A"	825	791	194.54	0.92	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.521
H3	-1.008	1.084
H4	-0.752	-1.134
H5	0.944	-1.018

	C1	N2	H3	H4	H5
C1		1.3072	1.1110	2.0861	2.0077
N2	1.3072		1.9293	1.0197	1.0113
H3	1.1110	1.9293		2.2331	2.8680
H4	2.0861	1.0197	2.2331		1.6995
H5	2.0077	1.0113	2.8680	1.6995

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.969		C1	N2	H5	119.428
N2	C1	H3	105.557		H4	N2	H5	113.603

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/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	-0.217
2	N	-0.626
3	H	0.156
4	H	0.327
5	H	0.360

	x	y	z	Total
	-1.311	-3.273	0.000	3.526
CHELPG
AIM
ESP

	x	y	z
x	2.896	-0.150	0.000
y	-0.150	3.891	0.000
z	0.000	0.000	1.713

<r²>	19.723
(<r²>)^1/2	4.441

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)