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	hartrees
Energy at 0K	-168.631470
Energy at 298.15K	-168.637926
HF Energy	-168.631470
Nuclear repulsion energy	79.956041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3783	3337	36.35
2	A	3743	3302	8.81
3	A	3556	3137	13.29
4	A	3451	3044	1.44
5	A	3318	2927	14.00
6	A	1881	1659	4.69
7	A	1642	1448	0.35
8	A	1600	1411	13.74
9	A	1507	1329	1.24
10	A	1486	1311	21.54
11	A	1250	1102	0.49
12	A	1208	1066	4.62
13	A	1129	996	72.92
14	A	949	837	14.41
15	A	934	824	75.72
16	A	455	401	40.16
17	A	407	359	84.13
18	A	328	289	36.28

Atom	x (Å)	y (Å)	z (Å)
N1	1.279	-0.156	-0.014
C2	-0.044	0.556	0.054
O3	-1.226	-0.274	-0.129
H4	1.236	-0.724	-0.904
H5	1.238	-0.901	0.734
H6	-0.065	1.109	1.019
H7	-0.065	1.292	-0.773
H8	-1.230	-0.827	0.730

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5039	2.5107	1.0561	1.0571	2.1154	2.1166	2.7024
C2	1.5039		1.4562	2.0479	2.0562	1.1126	1.1078	1.9436
O3	2.5107	1.4562		2.6201	2.6851	2.1403	2.0536	1.0214
H4	1.0561	2.0479	2.6201		1.6472	2.9581	2.4033	2.9601
H5	1.0571	2.0562	2.6851	1.6472		2.4123	2.9632	2.4696
H6	2.1154	1.1126	2.1403	2.9581	2.4123		1.8018	2.2786
H7	2.1166	1.1078	2.0536	2.4033	2.9632	1.8018		2.8477
H8	2.7024	1.9436	1.0214	2.9601	2.4696	2.2786	2.8477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.027	N1	C2	H6	106.943
N1	C2	H7	107.301	C2	N1	H4	104.900
C2	N1	H5	105.488	C2	O3	H8	101.906
O3	C2	H6	112.165	O3	C2	H7	105.633
H4	N1	H5	102.430	H6	C2	H7	108.473

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/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	-0.376
2	C	-0.007
3	O	-0.253
4	H	0.159
5	H	0.147
6	H	0.075
7	H	0.089
8	H	0.165

	x	y	z	Total
	-0.388	-1.169	0.961	1.562
CHELPG
AIM
ESP

	x	y	z
x	1.792	-0.033	-0.122
y	-0.033	1.813	-0.271
z	-0.122	-0.271	1.959

<r²>	50.470
(<r²>)^1/2	7.104

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)