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	hartrees
Energy at 0K	-168.597087
Energy at 298.15K	-168.603457
HF Energy	-168.597087
Nuclear repulsion energy	78.839367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3551	3244	48.93
2	A	3538	3232	15.88
3	A	3351	3062	24.76
4	A	3323	3036	2.64
5	A	3183	2908	18.76
6	A	1821	1664	3.02
7	A	1579	1443	0.60
8	A	1543	1410	11.62
9	A	1456	1330	1.39
10	A	1424	1301	19.87
11	A	1203	1099	0.18
12	A	1170	1069	9.86
13	A	1047	956	64.18
14	A	913	835	9.61
15	A	871	796	80.10
16	A	431	394	62.92
17	A	408	373	48.90
18	A	327	299	33.05

Atom	x (Å)	y (Å)	z (Å)
N1	1.308	-0.155	-0.016
C2	-0.045	0.559	0.054
O3	-1.247	-0.275	-0.130
H4	1.225	-0.752	-0.904
H5	1.238	-0.912	0.742
H6	-0.055	1.119	1.026
H7	-0.067	1.295	-0.785
H8	-1.247	-0.821	0.755

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5310	2.5602	1.0729	1.0740	2.1370	2.1408	2.7506
C2	1.5310		1.4747	2.0615	2.0695	1.1223	1.1164	1.9598
O3	2.5602	1.4747		2.6344	2.7098	2.1686	2.0704	1.0399
H4	1.0729	2.0615	2.6344		1.6543	2.9776	2.4238	2.9785
H5	1.0740	2.0695	2.7098	1.6543		2.4239	2.9844	2.4869
H6	2.1370	1.1223	2.1686	2.9776	2.4239		1.8204	2.2930
H7	2.1408	1.1164	2.0704	2.4238	2.9844	1.8204		2.8707
H8	2.7506	1.9598	1.0399	2.9785	2.4869	2.2930	2.8707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.794	N1	C2	H6	106.272
N1	C2	H7	106.884	C2	N1	H4	103.282
C2	N1	H5	103.816	C2	O3	H8	100.982
O3	C2	H6	112.531	O3	C2	H7	105.233
H4	N1	H5	100.806	H6	C2	H7	108.803

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/STO-3G

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	-0.353
2	C	-0.027
3	O	-0.227
4	H	0.151
5	H	0.140
6	H	0.072
7	H	0.086
8	H	0.157

	x	y	z	Total
	-0.491	-1.165	0.930	1.570
CHELPG
AIM
ESP

	x	y	z
x	2.016	-0.027	-0.126
y	-0.027	1.884	-0.265
z	-0.126	-0.265	2.029

<r²>	51.614
(<r²>)^1/2	7.184

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)