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	hartrees
Energy at 0K	-171.039877
Energy at 298.15K	-171.046488
HF Energy	-171.039877
Nuclear repulsion energy	82.413459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3880	3692	12.97
2	A	3648	3471	1.46
3	A	3553	3380	0.42
4	A	3143	2991	33.29
5	A	3055	2906	67.60
6	A	1687	1605	26.13
7	A	1521	1447	0.11
8	A	1439	1369	43.65
9	A	1402	1334	0.96
10	A	1389	1322	5.15
11	A	1178	1121	33.39
12	A	1129	1074	28.62
13	A	1049	998	227.64
14	A	916	872	3.59
15	A	838	797	173.27
16	A	482	459	50.05
17	A	425	404	114.99
18	A	302	288	73.78

Atom	x (Å)	y (Å)	z (Å)
N1	1.225	-0.157	-0.020
C2	-0.033	0.530	0.048
O3	-1.197	-0.263	-0.116
H4	1.277	-0.707	-0.869
H5	1.345	-0.789	0.763
H6	-0.064	1.083	0.995
H7	-0.076	1.257	-0.766
H8	-1.284	-0.825	0.659

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4347	2.4264	1.0135	1.0135	2.0564	2.0609	2.6837
C2	1.4347		1.4180	2.0213	2.0374	1.0976	1.0920	1.9431
O3	2.4264	1.4180		2.6235	2.7408	2.0806	1.9975	0.9620
H4	1.0135	2.0213	2.6235		1.6351	2.9117	2.3870	2.9840
H5	1.0135	2.0374	2.7408	1.6351		2.3549	2.9230	2.6309
H6	2.0564	1.0976	2.0806	2.9117	2.3549		1.7702	2.2890
H7	2.0609	1.0920	1.9975	2.3870	2.9230	1.7702		2.7978
H8	2.6837	1.9431	0.9620	2.9840	2.6309	2.2890	2.7978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.543	N1	C2	H6	107.854
N1	C2	H7	108.541	C2	N1	H4	110.113
C2	N1	H5	111.496	C2	O3	H8	107.920
O3	C2	H6	110.958	O3	C2	H7	104.719
H4	N1	H5	107.542	H6	C2	H7	107.884

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: mPW1PW91/6-31G**

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	-0.625
2	C	0.079
3	O	-0.546
4	H	0.265
5	H	0.252
6	H	0.120
7	H	0.148
8	H	0.306

	x	y	z	Total
	0.239	-1.241	1.295	1.810
CHELPG
AIM
ESP

	x	y	z
x	3.402	-0.122	-0.089
y	-0.122	3.228	-0.179
z	-0.089	-0.179	3.323

<r²>	49.233
(<r²>)^1/2	7.017

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)