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	hartrees
Energy at 0K	-171.028319
Energy at 298.15K	-171.034824
HF Energy	-171.028319
Nuclear repulsion energy	81.267036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3624	3.78
2	A	3453	3434	0.26
3	A	3375	3356	1.26
4	A	3009	2992	30.98
5	A	2927	2911	64.23
6	A	1628	1619	14.40
7	A	1458	1450	0.20
8	A	1389	1382	36.35
9	A	1352	1345	1.38
10	A	1341	1334	2.10
11	A	1134	1127	13.92
12	A	1062	1056	19.59
13	A	937	932	216.98
14	A	888	883	3.27
15	A	806	802	139.58
16	A	457	454	41.89
17	A	402	400	93.55
18	A	295	293	43.83

Atom	x (Å)	y (Å)	z (Å)
N1	1.246	-0.158	-0.024
C2	-0.030	0.539	0.047
O3	-1.219	-0.264	-0.114
H4	1.269	-0.742	-0.865
H5	1.356	-0.792	0.774
H6	-0.055	1.098	1.002
H7	-0.080	1.262	-0.782
H8	-1.282	-0.842	0.668

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4558	2.4697	1.0247	1.0247	2.0791	2.0860	2.7089
C2	1.4558		1.4444	2.0399	2.0538	1.1065	1.1012	1.9648
O3	2.4697	1.4444		2.6431	2.7747	2.1108	2.0179	0.9742
H4	1.0247	2.0399	2.6431		1.6427	2.9369	2.4176	2.9780
H5	1.0247	2.0538	2.7747	1.6427		2.3689	2.9497	2.6404
H6	2.0791	1.1065	2.1108	2.9369	2.3689		1.7913	2.3196
H7	2.0860	1.1012	2.0179	2.4176	2.9497	1.7913		2.8234
H8	2.7089	1.9648	0.9742	2.9780	2.6404	2.3196	2.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.772	N1	C2	H6	107.696
N1	C2	H7	108.544	C2	N1	H4	109.415
C2	N1	H5	110.586	C2	O3	H8	107.046
O3	C2	H6	110.995	O3	C2	H7	104.065
H4	N1	H5	106.554	H6	C2	H7	108.469

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: BLYP/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	-0.428
2	C	-0.061
3	O	-0.359
4	H	0.211
5	H	0.201
6	H	0.083
7	H	0.106
8	H	0.248

	x	y	z	Total
	0.276	-1.122	1.137	1.621
CHELPG
AIM
ESP

	x	y	z
x	3.930	-0.111	-0.114
y	-0.111	3.657	-0.167
z	-0.114	-0.167	3.638

<r²>	50.403
(<r²>)^1/2	7.099

All results from a given calculation for NH2CH2OH (aminomethanol)

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

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)