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	hartrees
Energy at 0K	-170.120970
Energy at 298.15K	-170.127488
HF Energy	-170.120970
Nuclear repulsion energy	80.693966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3540	3415	0.22
2	A	3440	3320	4.40
3	A	3438	3318	1.72
4	A	3128	3018	29.92
5	A	3028	2922	72.28
6	A	1728	1667	22.53
7	A	1550	1495	0.48
8	A	1433	1383	23.52
9	A	1409	1359	0.86
10	A	1377	1328	5.57
11	A	1170	1129	22.09
12	A	1090	1052	40.70
13	A	929	896	173.47
14	A	901	870	4.04
15	A	650	627	234.64
16	A	447	431	56.73
17	A	431	416	164.58
18	A	328	316	77.72

Atom	x (Å)	y (Å)	z (Å)
N1	1.237	-0.171	-0.026
C2	-0.019	0.538	0.052
O3	-1.248	-0.255	-0.112
H4	1.367	-0.684	-0.899
H5	1.459	-0.749	0.786
H6	-0.029	1.091	1.001
H7	-0.074	1.253	-0.770
H8	-1.284	-0.897	0.650

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4451	2.4881	1.0208	1.0211	2.0619	2.0738	2.7092
C2	1.4451		1.4715	2.0784	2.0930	1.0979	1.0906	2.0040
O3	2.4881	1.4715		2.7638	2.8944	2.1297	2.0205	0.9976
H4	1.0208	2.0784	2.7638		1.6887	2.9511	2.4175	3.0772
H5	1.0211	2.0930	2.8944	1.6887		2.3763	2.9629	2.7498
H6	2.0619	1.0979	2.1297	2.9511	2.3763		1.7786	2.3767
H7	2.0738	1.0906	2.0205	2.4175	2.9629	1.7786		2.8462
H8	2.7092	2.0040	0.9976	3.0772	2.7498	2.3767	2.8462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.093	N1	C2	H6	107.566
N1	C2	H7	108.935	C2	N1	H4	113.777
C2	N1	H5	115.051	C2	O3	H8	106.933
O3	C2	H6	111.131	O3	C2	H7	103.100
H4	N1	H5	111.590	H6	C2	H7	108.719

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/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	-0.680
2	C	-0.026
3	O	-0.548
4	H	0.277
5	H	0.265
6	H	0.182
7	H	0.219
8	H	0.311

	x	y	z	Total
	0.780	-1.320	1.314	2.019
CHELPG
AIM
ESP

	x	y	z
x	3.134	-0.096	-0.085
y	-0.096	2.785	-0.278
z	-0.085	-0.278	3.012

<r²>	51.084
(<r²>)^1/2	7.147

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)