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	hartrees
Energy at 0K	-94.486841
Energy at 298.15K	-94.489737
HF Energy	-94.486841
Nuclear repulsion energy	32.727746

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'	3441	3441	14.95	81.32	0.67	0.80
2	A'	3241	3241	59.12	526.54	0.29	0.45
3	A'	2842	2842	94.68	167.21	0.62	0.77
4	A'	1632	1632	7.04	28.96	0.59	0.74
5	A'	1414	1414	7.91	10.77	0.23	0.38
6	A'	1334	1334	15.93	14.47	0.23	0.37
7	A'	1037	1037	28.61	17.48	0.37	0.53
8	A"	1130	1130	10.25	0.34	0.75	0.86
9	A"	796	796	134.90	0.70	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.523
H3	-1.009	1.101
H4	-0.760	-1.144
H5	0.951	-1.026

	C1	N2	H3	H4	H5
C1		1.3113	1.1161	2.1006	2.0198
N2	1.3113		1.9456	1.0312	1.0208
H3	1.1161	1.9456		2.2591	2.8920
H4	2.1006	1.0312	2.2591		1.7155
H5	2.0198	1.0208	2.8920	1.7155

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.058		C1	N2	H5	119.498
N2	C1	H3	106.267		H4	N2	H5	113.444

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	-0.068
2	N	-0.372
3	H	0.112
4	H	0.145
5	H	0.183

	x	y	z	Total
	-1.310	-3.275	0.000	3.527
CHELPG
AIM
ESP

	x	y	z
x	3.824	0.205	0.000
y	0.205	5.143	0.000
z	0.000	0.000	2.949

<r²>	20.232
(<r²>)^1/2	4.498

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)