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	hartrees
Energy at 0K	-170.120968
Energy at 298.15K	-170.127474
HF Energy	-170.120968
Nuclear repulsion energy	80.693968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3539	3405	0.22
2	A	3442	3311	4.96
3	A	3438	3307	1.17
4	A	3129	3010	29.95
5	A	3028	2913	72.32
6	A	1728	1662	22.54
7	A	1549	1490	0.49
8	A	1433	1379	23.58
9	A	1409	1355	0.83
10	A	1376	1324	5.45
11	A	1170	1125	22.09
12	A	1090	1049	40.74
13	A	928	893	173.28
14	A	901	867	4.12
15	A	650	625	235.39
16	A	448	431	54.85
17	A	430	414	161.74
18	A	324	311	81.84

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	-0.750	0.786
H6	-0.029	1.091	1.001
H7	-0.074	1.253	-0.770
H8	-1.283	-0.898	0.650

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4451	2.4881	1.0208	1.0211	2.0619	2.0738	2.7090
C2	1.4451		1.4716	2.0784	2.0930	1.0979	1.0906	2.0039
O3	2.4881	1.4716		2.7639	2.8945	2.1298	2.0205	0.9976
H4	1.0208	2.0784	2.7639		1.6887	2.9511	2.4174	3.0771
H5	1.0211	2.0930	2.8945	1.6887		2.3764	2.9629	2.7496
H6	2.0619	1.0979	2.1298	2.9511	2.3764		1.7786	2.3769
H7	2.0738	1.0906	2.0205	2.4174	2.9629	1.7786		2.8461
H8	2.7090	2.0039	0.9976	3.0771	2.7496	2.3769	2.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.094	N1	C2	H6	107.568
N1	C2	H7	108.934	C2	N1	H4	113.779
C2	N1	H5	115.056	C2	O3	H8	106.929
O3	C2	H6	111.132	O3	C2	H7	103.097
H4	N1	H5	111.592	H6	C2	H7	108.718

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/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
	0.781	-1.320	1.313	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: B3LYP/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)