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	hartrees
Energy at 0K	-170.079600
Energy at 298.15K	-170.086121
HF Energy	-170.079600
Nuclear repulsion energy	81.072800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3615	3433	2.33
2	A	3536	3358	1.46
3	A	3507	3330	0.40
4	A	3156	2997	29.49
5	A	3054	2900	69.96
6	A	1734	1647	28.54
7	A	1554	1476	0.91
8	A	1440	1368	20.86
9	A	1417	1346	0.89
10	A	1383	1313	7.31
11	A	1180	1120	29.09
12	A	1117	1061	42.41
13	A	959	910	177.65
14	A	905	859	6.50
15	A	640	608	242.43
16	A	453	430	65.84
17	A	434	412	159.17
18	A	322	306	100.83

Atom	x (Å)	y (Å)	z (Å)
N1	1.229	-0.172	-0.026
C2	-0.021	0.533	0.052
O3	-1.242	-0.254	-0.112
H4	1.379	-0.667	-0.901
H5	1.470	-0.736	0.785
H6	-0.032	1.085	1.000
H7	-0.075	1.251	-0.766
H8	-1.283	-0.894	0.644

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4367	2.4733	1.0168	1.0169	2.0545	2.0667	2.6982
C2	1.4367		1.4619	2.0754	2.0905	1.0972	1.0900	1.9952
O3	2.4733	1.4619		2.7674	2.8965	2.1202	2.0140	0.9913
H4	1.0168	2.0754	2.7674		1.6898	2.9451	2.4103	3.0859
H5	1.0169	2.0905	2.8965	1.6898		2.3701	2.9564	2.7613
H6	2.0545	1.0972	2.1202	2.9451	2.3701		1.7748	2.3687
H7	2.0667	1.0900	2.0140	2.4103	2.9564	1.7748		2.8375
H8	2.6982	1.9952	0.9913	3.0859	2.7613	2.3687	2.8375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.129	N1	C2	H6	107.589
N1	C2	H7	108.981	C2	N1	H4	114.452
C2	N1	H5	115.803	C2	O3	H8	107.278
O3	C2	H6	111.090	O3	C2	H7	103.255
H4	N1	H5	112.387	H6	C2	H7	108.477

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: mPW1PW91/3-21G*

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	-0.732
2	C	-0.061
3	O	-0.573
4	H	0.299
5	H	0.287
6	H	0.206
7	H	0.244
8	H	0.329

	x	y	z	Total
	0.848	-1.330	1.359	2.083
CHELPG
AIM
ESP

	x	y	z
x	3.056	-0.101	-0.074
y	-0.101	2.706	-0.263
z	-0.074	-0.263	2.947

<r²>	50.675
(<r²>)^1/2	7.119

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)