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	hartrees
Energy at 0K	-171.029429
Energy at 298.15K	-171.036002
HF Energy	-171.029429
Nuclear repulsion energy	82.331700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3847	3698	14.08
2	A	3608	3469	1.67
3	A	3521	3385	0.35
4	A	3101	2981	30.48
5	A	3019	2902	62.47
6	A	1667	1602	21.59
7	A	1499	1441	0.05
8	A	1426	1371	39.48
9	A	1388	1334	1.05
10	A	1378	1325	3.63
11	A	1171	1125	22.86
12	A	1115	1072	24.78
13	A	1030	990	213.62
14	A	910	875	3.32
15	A	832	800	150.92
16	A	478	460	45.05
17	A	405	389	98.43
18	A	293	282	57.10

Atom	x (Å)	y (Å)	z (Å)
N1	1.227	-0.156	-0.022
C2	-0.034	0.532	0.047
O3	-1.198	-0.263	-0.114
H4	1.267	-0.721	-0.864
H5	1.345	-0.784	0.766
H6	-0.065	1.087	0.995
H7	-0.080	1.258	-0.771
H8	-1.268	-0.838	0.654

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4382	2.4297	1.0146	1.0144	2.0612	2.0664	2.6738
C2	1.4382		1.4188	2.0225	2.0369	1.0997	1.0945	1.9408
O3	2.4297	1.4188		2.6172	2.7410	2.0831	1.9987	0.9611
H4	1.0146	2.0225	2.6172		1.6329	2.9151	2.3959	2.9570
H5	1.0144	2.0369	2.7410	1.6329		2.3537	2.9261	2.6162
H6	2.0612	1.0997	2.0831	2.9151	2.3537		1.7742	2.2960
H7	2.0664	1.0945	1.9987	2.3959	2.9261	1.7742		2.7984
H8	2.6738	1.9408	0.9611	2.9570	2.6162	2.2960	2.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.520	N1	C2	H6	107.877
N1	C2	H7	108.593	C2	N1	H4	109.885
C2	N1	H5	111.129	C2	O3	H8	107.718
O3	C2	H6	110.977	O3	C2	H7	104.622
H4	N1	H5	107.175	H6	C2	H7	107.913

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.542
2	C	-0.063
3	O	-0.437
4	H	0.252
5	H	0.241
6	H	0.119
7	H	0.143
8	H	0.288

	x	y	z	Total
	0.250	-1.168	1.186	1.683
CHELPG
AIM
ESP

	x	y	z
x	3.678	-0.117	-0.089
y	-0.117	3.505	-0.145
z	-0.089	-0.145	3.493

<r²>	49.225
(<r²>)^1/2	7.016

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)