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	hartrees
Energy at 0K	-171.149449
Energy at 298.15K	-171.155983
HF Energy	-171.149449
Nuclear repulsion energy	81.960704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3656	12.39
2	A	3559	3447	0.74
3	A	3476	3366	0.87
4	A	3099	3001	29.13
5	A	3021	2925	59.20
6	A	1670	1617	22.39
7	A	1512	1464	0.04
8	A	1418	1373	33.47
9	A	1387	1343	1.95
10	A	1366	1322	3.49
11	A	1153	1116	25.83
12	A	1089	1055	25.45
13	A	979	948	242.98
14	A	899	871	3.62
15	A	817	791	147.75
16	A	468	453	44.54
17	A	397	384	89.03
18	A	282	273	61.00

Atom	x (Å)	y (Å)	z (Å)
N1	1.232	-0.159	-0.021
C2	-0.028	0.536	0.048
O3	-1.208	-0.263	-0.116
H4	1.285	-0.717	-0.867
H5	1.355	-0.786	0.768
H6	-0.064	1.080	0.997
H7	-0.076	1.253	-0.771
H8	-1.297	-0.828	0.661

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4406	2.4441	1.0148	1.0147	2.0616	2.0662	2.7029
C2	1.4406		1.4344	2.0318	2.0443	1.0945	1.0895	1.9613
O3	2.4441	1.4344		2.6427	2.7612	2.0857	2.0023	0.9648
H4	1.0148	2.0318	2.6427		1.6381	2.9189	2.3958	3.0018
H5	1.0147	2.0443	2.7612	1.6381		2.3553	2.9283	2.6542
H6	2.0616	1.0945	2.0857	2.9189	2.3553		1.7764	2.2964
H7	2.0662	1.0895	2.0023	2.3958	2.9283	1.7764		2.8058
H8	2.7029	1.9613	0.9648	3.0018	2.6542	2.2964	2.8058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.445	N1	C2	H6	108.040
N1	C2	H7	108.706	C2	N1	H4	110.479
C2	N1	H5	111.552	C2	O3	H8	108.067
O3	C2	H6	110.398	O3	C2	H7	104.159
H4	N1	H5	107.630	H6	C2	H7	108.848

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: TPSSh/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	N	-0.308
2	C	0.108
3	O	-0.350
4	H	0.129
5	H	0.117
6	H	0.046
7	H	0.075
8	H	0.183

	x	y	z	Total
	0.348	-1.033	1.220	1.636
CHELPG
AIM
ESP

	x	y	z
x	4.334	-0.058	-0.096
y	-0.058	3.940	-0.130
z	-0.096	-0.130	3.833

<r²>	49.897
(<r²>)^1/2	7.064

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)