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	hartrees
Energy at 0K	-171.096764
Energy at 298.15K	-171.103193
HF Energy	-171.096764
Nuclear repulsion energy	81.190245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3677	3657	12.73
2	A	3482	3463	2.83
3	A	3401	3383	1.60
4	A	3023	3006	23.29
5	A	2951	2935	48.26
6	A	1621	1612	25.34
7	A	1464	1456	0.09
8	A	1376	1368	24.72
9	A	1344	1336	2.20
10	A	1319	1312	5.10
11	A	1117	1111	27.99
12	A	1047	1042	29.85
13	A	891	886	238.67
14	A	881	876	1.06
15	A	755	751	158.02
16	A	456	453	43.49
17	A	390	387	78.65
18	A	268	266	69.80

Atom	x (Å)	y (Å)	z (Å)
N1	1.242	-0.163	-0.020
C2	-0.022	0.539	0.047
O3	-1.225	-0.264	-0.118
H4	1.319	-0.715	-0.875
H5	1.389	-0.782	0.778
H6	-0.063	1.084	1.001
H7	-0.074	1.257	-0.777
H8	-1.334	-0.821	0.671

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4474	2.4704	1.0207	1.0204	2.0736	2.0787	2.7471
C2	1.4474		1.4553	2.0548	2.0667	1.0990	1.0945	1.9900
O3	2.4704	1.4553		2.6922	2.8115	2.1021	2.0182	0.9722
H4	1.0207	2.0548	2.6922		1.6560	2.9438	2.4163	3.0733
H5	1.0204	2.0667	2.8115	1.6560		2.3754	2.9524	2.7261
H6	2.0736	1.0990	2.1021	2.9438	2.3754		1.7859	2.3140
H7	2.0787	1.0945	2.0182	2.4163	2.9524	1.7859		2.8293
H8	2.7471	1.9900	0.9722	3.0733	2.7261	2.3140	2.8293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.653	N1	C2	H6	108.265
N1	C2	H7	108.933	C2	N1	H4	111.552
C2	N1	H5	112.601	C2	O3	H8	108.479
O3	C2	H6	109.984	O3	C2	H7	103.748
H4	N1	H5	108.454	H6	C2	H7	109.007

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.737
2	C	0.419
3	O	-0.555
4	H	0.207
5	H	0.199
6	H	0.129
7	H	0.127
8	H	0.211

	x	y	z	Total
	0.480	-0.922	1.258	1.631
CHELPG
AIM
ESP

	x	y	z
x	5.553	0.061	-0.080
y	0.061	4.671	-0.040
z	-0.080	-0.040	4.305

<r²>	51.272
(<r²>)^1/2	7.160

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)