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	hartrees
Energy at 0K	-171.148103
Energy at 298.15K	-171.154668
HF Energy	-171.148103
Nuclear repulsion energy	81.858903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3774	3637	12.04
2	A	3576	3446	1.35
3	A	3489	3362	0.64
4	A	3116	3003	28.22
5	A	3031	2921	60.26
6	A	1679	1618	29.89
7	A	1510	1455	0.04
8	A	1429	1377	38.10
9	A	1390	1340	1.76
10	A	1363	1314	3.35
11	A	1154	1112	29.51
12	A	1086	1046	30.99
13	A	967	931	254.57
14	A	906	873	3.70
15	A	802	773	165.27
16	A	471	454	53.93
17	A	417	401	95.99
18	A	298	287	77.08

Atom	x (Å)	y (Å)	z (Å)
N1	1.230	-0.161	-0.021
C2	-0.027	0.536	0.048
O3	-1.212	-0.262	-0.116
H4	1.303	-0.706	-0.874
H5	1.374	-0.781	0.770
H6	-0.061	1.077	1.000
H7	-0.075	1.254	-0.769
H8	-1.296	-0.839	0.655

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4392	2.4464	1.0150	1.0149	2.0594	2.0656	2.7017
C2	1.4392		1.4380	2.0402	2.0536	1.0950	1.0894	1.9671
O3	2.4464	1.4380		2.6643	2.7826	2.0886	2.0045	0.9665
H4	1.0150	2.0402	2.6643		1.6471	2.9241	2.3985	3.0182
H5	1.0149	2.0536	2.7826	1.6471		2.3586	2.9343	2.6734
H6	2.0594	1.0950	2.0886	2.9241	2.3586		1.7779	2.3061
H7	2.0656	1.0894	2.0045	2.3985	2.9343	1.7779		2.8109
H8	2.7017	1.9671	0.9665	3.0182	2.6734	2.3061	2.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.482	N1	C2	H6	107.943
N1	C2	H7	108.768	C2	N1	H4	111.290
C2	N1	H5	112.459	C2	O3	H8	108.190
O3	C2	H6	110.355	O3	C2	H7	104.104
H4	N1	H5	108.471	H6	C2	H7	108.958

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: TPSSh/TZVP

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	-0.420
2	C	-0.065
3	O	-0.386
4	H	0.202
5	H	0.194
6	H	0.107
7	H	0.122
8	H	0.246

	x	y	z	Total
	0.452	-1.117	1.334	1.797
CHELPG
AIM
ESP

	x	y	z
x	4.259	-0.033	-0.080
y	-0.033	3.825	-0.127
z	-0.080	-0.127	3.747

<r²>	50.202
(<r²>)^1/2	7.085

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)