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	hartrees
Energy at 0K	-170.955385
Energy at 298.15K	-170.961840
HF Energy	-170.955385
Nuclear repulsion energy	81.644923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3704	11.48
2	A	3508	3508	1.80
3	A	3422	3422	0.89
4	A	3030	3030	24.91
5	A	2952	2952	54.81
6	A	1612	1612	23.02
7	A	1445	1445	0.14
8	A	1370	1370	29.11
9	A	1339	1339	2.40
10	A	1320	1320	2.73
11	A	1127	1127	30.01
12	A	1073	1073	23.25
13	A	942	942	223.25
14	A	878	878	4.23
15	A	772	772	159.89
16	A	462	462	45.31
17	A	397	397	82.19
18	A	266	266	66.43

Atom	x (Å)	y (Å)	z (Å)
N1	1.234	-0.160	-0.021
C2	-0.025	0.533	0.048
O3	-1.215	-0.262	-0.117
H4	1.298	-0.718	-0.873
H5	1.373	-0.783	0.775
H6	-0.060	1.085	1.002
H7	-0.075	1.259	-0.775
H8	-1.306	-0.827	0.668

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4396	2.4533	1.0206	1.0202	2.0670	2.0726	2.7149
C2	1.4396		1.4403	2.0407	2.0533	1.1031	1.0981	1.9680
O3	2.4533	1.4403		2.6635	2.7858	2.0979	2.0116	0.9709
H4	1.0206	2.0407	2.6635		1.6511	2.9345	2.4085	3.0276
H5	1.0202	2.0533	2.7858	1.6511		2.3652	2.9440	2.6806
H6	2.0670	1.1031	2.0979	2.9345	2.3652		1.7857	2.3062
H7	2.0726	1.0981	2.0116	2.4085	2.9440	1.7857		2.8189
H8	2.7149	1.9680	0.9709	3.0276	2.6806	2.3062	2.8189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.828	N1	C2	H6	108.032
N1	C2	H7	108.776	C2	N1	H4	110.945
C2	N1	H5	112.050	C2	O3	H8	107.820
O3	C2	H6	110.443	O3	C2	H7	104.016
H4	N1	H5	108.010	H6	C2	H7	108.439

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/Def2TZVPP

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	N	-0.326
2	C	0.020
3	O	-0.315
4	H	0.147
5	H	0.133
6	H	0.082
7	H	0.092
8	H	0.168

	x	y	z	Total
	0.407	-1.060	1.224	1.670
CHELPG
AIM
ESP

	x	y	z
x	4.748	-0.043	-0.106
y	-0.043	4.220	-0.116
z	-0.106	-0.116	4.065

<r²>	50.434
(<r²>)^1/2	7.102

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)