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	hartrees
Energy at 0K	-171.006513
Energy at 298.15K	-171.013123
HF Energy	-171.006513
Nuclear repulsion energy	82.168444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3774	3611	8.92
2	A	3594	3438	0.62
3	A	3502	3350	0.56
4	A	3137	3001	34.12
5	A	3045	2913	69.57
6	A	1707	1633	25.87
7	A	1526	1460	0.11
8	A	1442	1380	45.74
9	A	1405	1344	1.62
10	A	1394	1333	3.22
11	A	1178	1127	26.62
12	A	1123	1074	26.04
13	A	1037	992	244.47
14	A	917	877	3.53
15	A	853	816	169.88
16	A	478	458	51.15
17	A	429	410	118.51
18	A	308	294	72.36

Atom	x (Å)	y (Å)	z (Å)
N1	1.230	-0.156	-0.020
C2	-0.032	0.531	0.048
O3	-1.201	-0.263	-0.117
H4	1.276	-0.712	-0.871
H5	1.346	-0.794	0.764
H6	-0.063	1.084	0.998
H7	-0.076	1.257	-0.768
H8	-1.286	-0.828	0.664

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4383	2.4351	1.0171	1.0172	2.0604	2.0644	2.6921
C2	1.4383		1.4227	2.0248	2.0414	1.0995	1.0934	1.9490
O3	2.4351	1.4227		2.6278	2.7473	2.0860	2.0000	0.9680
H4	1.0171	2.0248	2.6278		1.6380	2.9171	2.3907	2.9886
H5	1.0172	2.0414	2.7473	1.6380		2.3592	2.9285	2.6343
H6	2.0604	1.0995	2.0860	2.9171	2.3592		1.7750	2.2936
H7	2.0644	1.0934	2.0000	2.3907	2.9285	1.7750		2.8042
H8	2.6921	1.9490	0.9680	2.9886	2.6343	2.2936	2.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.665	N1	C2	H6	107.809
N1	C2	H7	108.492	C2	N1	H4	109.911
C2	N1	H5	111.318	C2	O3	H8	107.700
O3	C2	H6	110.939	O3	C2	H7	104.527
H4	N1	H5	107.257	H6	C2	H7	108.077

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/6-31G*

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	-0.727
2	C	-0.013
3	O	-0.615
4	H	0.321
5	H	0.307
6	H	0.155
7	H	0.183
8	H	0.388

	x	y	z	Total
	0.220	-1.284	1.316	1.851
CHELPG
AIM
ESP

	x	y	z
x	3.394	-0.121	-0.090
y	-0.121	3.204	-0.184
z	-0.090	-0.184	3.309

<r²>	49.496
(<r²>)^1/2	7.035

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)