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	hartrees
Energy at 0K	-171.086330
Energy at 298.15K	-171.092952
HF Energy	-171.086330
Nuclear repulsion energy	82.468090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3884	3716	18.24
2	A	3631	3474	1.69
3	A	3545	3392	0.36
4	A	3129	2993	32.56
5	A	3042	2911	67.28
6	A	1678	1606	30.01
7	A	1510	1444	0.10
8	A	1437	1375	40.41
9	A	1397	1337	1.18
10	A	1382	1322	4.11
11	A	1179	1128	33.42
12	A	1121	1073	30.94
13	A	1035	990	230.56
14	A	920	880	2.98
15	A	827	791	164.35
16	A	485	464	54.42
17	A	422	404	104.36
18	A	306	292	71.34

Atom	x (Å)	y (Å)	z (Å)
N1	1.221	-0.157	-0.022
C2	-0.033	0.532	0.047
O3	-1.198	-0.263	-0.113
H4	1.280	-0.710	-0.868
H5	1.355	-0.778	0.767
H6	-0.064	1.082	0.995
H7	-0.079	1.257	-0.766
H8	-1.263	-0.844	0.646

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4330	2.4232	1.0122	1.0120	2.0549	2.0609	2.6627
C2	1.4330		1.4194	2.0254	2.0399	1.0963	1.0903	1.9409
O3	2.4232	1.4194		2.6282	2.7493	2.0788	1.9966	0.9587
H4	1.0122	2.0254	2.6282		1.6375	2.9131	2.3930	2.9622
H5	1.0120	2.0399	2.7493	1.6375		2.3507	2.9238	2.6221
H6	2.0549	1.0963	2.0788	2.9131	2.3507		1.7698	2.2955
H7	2.0609	1.0903	1.9966	2.3930	2.9238	1.7698		2.7948
H8	2.6627	1.9409	0.9587	2.9622	2.6221	2.2955	2.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.323	N1	C2	H6	107.928
N1	C2	H7	108.762	C2	N1	H4	110.679
C2	N1	H5	111.937	C2	O3	H8	107.828
O3	C2	H6	110.791	O3	C2	H7	104.655
H4	N1	H5	107.998	H6	C2	H7	108.078

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: mPW1PW91/6-311G**

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	-0.479
2	C	0.039
3	O	-0.403
4	H	0.199
5	H	0.188
6	H	0.111
7	H	0.126
8	H	0.218

	x	y	z	Total
	0.359	-1.160	1.278	1.763
CHELPG
AIM
ESP

	x	y	z
x	3.747	-0.078	-0.093
y	-0.078	3.510	-0.156
z	-0.093	-0.156	3.485

<r²>	49.302
(<r²>)^1/2	7.022

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)