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	hartrees
Energy at 0K	-170.041702
Energy at 298.15K	-170.048215
HF Energy	-170.041702
Nuclear repulsion energy	81.176127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3617	3460	2.20
2	A	3526	3374	2.09
3	A	3506	3354	0.41
4	A	3160	3023	29.60
5	A	3059	2926	69.67
6	A	1729	1655	28.52
7	A	1551	1484	0.81
8	A	1436	1374	21.18
9	A	1412	1351	0.92
10	A	1377	1317	7.36
11	A	1175	1124	31.80
12	A	1116	1067	42.01
13	A	958	916	177.03
14	A	901	862	6.56
15	A	630	603	237.31
16	A	450	430	74.50
17	A	430	412	153.86
18	A	321	308	101.79

Atom	x (Å)	y (Å)	z (Å)
N1	1.226	-0.172	-0.026
C2	-0.021	0.533	0.052
O3	-1.240	-0.254	-0.112
H4	1.380	-0.665	-0.900
H5	1.473	-0.731	0.785
H6	-0.031	1.084	0.999
H7	-0.075	1.250	-0.765
H8	-1.279	-0.897	0.642

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4343	2.4685	1.0153	1.0154	2.0515	2.0642	2.6911
C2	1.4343		1.4607	2.0746	2.0895	1.0955	1.0883	1.9939
O3	2.4685	1.4607		2.7669	2.8968	2.1179	2.0114	0.9910
H4	1.0153	2.0746	2.7669		1.6894	2.9423	2.4084	3.0823
H5	1.0154	2.0895	2.8968	1.6894		2.3670	2.9535	2.7602
H6	2.0515	1.0955	2.1179	2.9423	2.3670		1.7725	2.3683
H7	2.0642	1.0883	2.0114	2.4084	2.9535	1.7725		2.8347
H8	2.6911	1.9939	0.9910	3.0823	2.7602	2.3683	2.8347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.010	N1	C2	H6	107.627
N1	C2	H7	109.058	C2	N1	H4	114.680
C2	N1	H5	116.021	C2	O3	H8	107.279
O3	C2	H6	111.095	O3	C2	H7	103.227
H4	N1	H5	112.596	H6	C2	H7	108.513

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B1B95/3-21G

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	-0.723
2	C	-0.050
3	O	-0.569
4	H	0.295
5	H	0.283
6	H	0.200
7	H	0.238
8	H	0.326

	x	y	z	Total
	0.883	-1.317	1.350	2.083
CHELPG
AIM
ESP

	x	y	z
x	3.057	-0.102	-0.074
y	-0.102	2.715	-0.268
z	-0.074	-0.268	2.954

<r²>	50.553
(<r²>)^1/2	7.110

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)