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	hartrees
Energy at 0K	-94.503262
Energy at 298.15K	-94.506179
HF Energy	-94.503262
Nuclear repulsion energy	33.004882

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'	3578	3441	22.60	91.20	0.67	0.81
2	A'	3423	3293	14.23	375.58	0.24	0.39
3	A'	2944	2832	92.54	168.89	0.50	0.66
4	A'	1689	1625	16.86	18.13	0.60	0.75
5	A'	1460	1405	12.32	9.49	0.20	0.34
6	A'	1385	1332	15.23	12.32	0.12	0.21
7	A'	1074	1033	24.37	12.05	0.26	0.41
8	A"	1159	1115	10.43	0.18	0.75	0.86
9	A"	812	781	146.15	0.37	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.521
H3	-0.998	1.095
H4	-0.758	-1.122
H5	0.942	-1.018

	C1	N2	H3	H4	H5
C1		1.3026	1.1063	2.0732	2.0031
N2	1.3026		1.9333	1.0172	1.0102
H3	1.1063	1.9333		2.2306	2.8690
H4	2.0732	1.0172	2.2306		1.7031
H5	2.0031	1.0102	2.8690	1.7031

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.238		C1	N2	H5	119.479
N2	C1	H3	106.468		H4	N2	H5	114.283

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	-0.515
2	N	-0.046
3	H	0.296
4	H	0.104
5	H	0.162

	x	y	z	Total
	-1.341	-3.235	0.000	3.501
CHELPG
AIM
ESP

	x	y	z
x	3.781	0.111	0.000
y	0.111	4.800	0.000
z	0.000	0.000	2.961

<r²>	19.916
(<r²>)^1/2	4.463

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)