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	hartrees
Energy at 0K	-168.836784
Energy at 298.15K	-168.843195
HF Energy	-168.836784
Nuclear repulsion energy	79.154611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3641	50.68
2	A	3623	3623	15.45
3	A	3440	3440	21.12
4	A	3404	3404	2.10
5	A	3269	3269	14.98
6	A	1866	1866	2.81
7	A	1630	1630	0.87
8	A	1580	1580	12.30
9	A	1490	1490	1.10
10	A	1462	1462	24.80
11	A	1226	1226	0.14
12	A	1194	1194	11.39
13	A	1080	1080	62.95
14	A	929	929	16.44
15	A	912	912	59.93
16	A	436	436	47.15
17	A	409	409	61.66
18	A	326	326	35.43

Atom	x (Å)	y (Å)	z (Å)
N1	1.299	-0.156	-0.014
C2	-0.044	0.560	0.054
O3	-1.241	-0.276	-0.131
H4	1.234	-0.738	-0.905
H5	1.237	-0.912	0.736
H6	-0.063	1.115	1.023
H7	-0.065	1.294	-0.780
H8	-1.245	-0.820	0.748

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5241	2.5460	1.0663	1.0674	2.1320	2.1331	2.7379
C2	1.5241		1.4716	2.0592	2.0673	1.1162	1.1111	1.9563
O3	2.5460	1.4716		2.6344	2.7011	2.1568	2.0660	1.0330
H4	1.0663	2.0592	2.6344		1.6508	2.9719	2.4153	2.9809
H5	1.0674	2.0673	2.7011	1.6508		2.4244	2.9767	2.4838
H6	2.1320	1.1162	2.1568	2.9719	2.4244		1.8117	2.2835
H7	2.1331	1.1111	2.0660	2.4153	2.9767	1.8117		2.8623
H8	2.7379	1.9563	1.0330	2.9809	2.4838	2.2835	2.8623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.388	N1	C2	H6	106.684
N1	C2	H7	107.048	C2	N1	H4	103.897
C2	N1	H5	104.447	C2	O3	H8	101.278
O3	C2	H6	112.178	O3	C2	H7	105.398
H4	N1	H5	101.370	H6	C2	H7	108.858

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: TPSSh/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	-0.351
2	C	0.008
3	O	-0.236
4	H	0.147
5	H	0.135
6	H	0.065
7	H	0.078
8	H	0.153

	x	y	z	Total
	-0.449	-1.119	0.921	1.517
CHELPG
AIM
ESP

	x	y	z
x	1.925	-0.036	-0.134
y	-0.036	1.885	-0.277
z	-0.134	-0.277	2.044

<r²>	51.359
(<r²>)^1/2	7.167

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)