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	hartrees
Energy at 0K	-171.052200
Energy at 298.15K	-171.058840
HF Energy	-171.052200
Nuclear repulsion energy	82.265924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3801	3659	5.55
2	A	3602	3467	0.36
3	A	3517	3386	0.93
4	A	3125	3008	34.96
5	A	3032	2919	73.17
6	A	1722	1657	35.80
7	A	1511	1454	0.27
8	A	1441	1388	43.84
9	A	1405	1353	2.25
10	A	1389	1337	2.92
11	A	1178	1134	31.14
12	A	1114	1073	28.14
13	A	1022	984	257.26
14	A	920	886	3.17
15	A	841	810	173.70
16	A	481	463	54.85
17	A	435	419	124.99
18	A	318	307	78.28

Atom	x (Å)	y (Å)	z (Å)
N1	1.226	-0.158	-0.021
C2	-0.031	0.532	0.047
O3	-1.201	-0.262	-0.114
H4	1.281	-0.714	-0.867
H5	1.361	-0.779	0.769
H6	-0.062	1.082	0.996
H7	-0.079	1.255	-0.769
H8	-1.286	-0.836	0.654

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4355	2.4313	1.0138	1.0138	2.0574	2.0634	2.6882
C2	1.4355		1.4232	2.0267	2.0438	1.0975	1.0911	1.9531
O3	2.4313	1.4232		2.6325	2.7591	2.0825	1.9976	0.9626
H4	1.0138	2.0267	2.6325		1.6393	2.9156	2.3946	2.9860
H5	1.0138	2.0438	2.7591	1.6393		2.3540	2.9280	2.6505
H6	2.0574	1.0975	2.0825	2.9156	2.3540		1.7729	2.3011
H7	2.0634	1.0911	1.9976	2.3946	2.9280	1.7729		2.8026
H8	2.6882	1.9531	0.9626	2.9860	2.6505	2.3011	2.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.524	N1	C2	H6	107.881
N1	C2	H7	108.737	C2	N1	H4	110.499
C2	N1	H5	111.959	C2	O3	H8	108.348
O3	C2	H6	110.751	O3	C2	H7	104.439
H4	N1	H5	107.903	H6	C2	H7	108.205

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/6-311G*

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	-0.744
2	C	-0.120
3	O	-0.558
4	H	0.322
5	H	0.308
6	H	0.203
7	H	0.225
8	H	0.364

	x	y	z	Total
	0.324	-1.272	1.389	1.911
CHELPG
AIM
ESP

	x	y	z
x	3.684	-0.070	-0.096
y	-0.070	3.430	-0.166
z	-0.096	-0.166	3.428

<r²>	49.607
(<r²>)^1/2	7.043

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)