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	hartrees
Energy at 0K	-171.151809
Energy at 298.15K	-171.158362
HF Energy	-171.151809
Nuclear repulsion energy	81.981546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3796	3657	15.60
2	A	3597	3465	2.89
3	A	3509	3381	1.17
4	A	3111	2998	27.44
5	A	3031	2920	58.12
6	A	1674	1612	33.43
7	A	1503	1448	0.13
8	A	1431	1379	35.72
9	A	1388	1337	1.09
10	A	1364	1314	6.08
11	A	1159	1117	34.20
12	A	1091	1051	33.37
13	A	972	936	244.57
14	A	914	880	2.86
15	A	780	752	176.10
16	A	477	459	57.44
17	A	411	396	94.16
18	A	291	281	83.60

Atom	x (Å)	y (Å)	z (Å)
N1	1.226	-0.162	-0.021
C2	-0.027	0.535	0.048
O3	-1.211	-0.261	-0.114
H4	1.314	-0.700	-0.875
H5	1.388	-0.769	0.772
H6	-0.062	1.078	0.998
H7	-0.076	1.257	-0.766
H8	-1.294	-0.848	0.647

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4353	2.4402	1.0127	1.0124	2.0574	2.0646	2.6955
C2	1.4353		1.4356	2.0431	2.0564	1.0944	1.0891	1.9684
O3	2.4402	1.4356		2.6728	2.7926	2.0855	2.0041	0.9642
H4	1.0127	2.0431	2.6728		1.6501	2.9255	2.4028	3.0227
H5	1.0124	2.0564	2.7926	1.6501		2.3590	2.9353	2.6864
H6	2.0574	1.0944	2.0855	2.9255	2.3590		1.7727	2.3127
H7	2.0646	1.0891	2.0041	2.4028	2.9353	1.7727		2.8120
H8	2.6955	1.9684	0.9642	3.0227	2.6864	2.3127	2.8120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.419	N1	C2	H6	108.082
N1	C2	H7	108.972	C2	N1	H4	111.997
C2	N1	H5	113.172	C2	O3	H8	108.620
O3	C2	H6	110.306	O3	C2	H7	104.241
H4	N1	H5	109.138	H6	C2	H7	108.558

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/TZVP

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	-0.416
2	C	-0.088
3	O	-0.384
4	H	0.202
5	H	0.194
6	H	0.117
7	H	0.130
8	H	0.245

	x	y	z	Total
	0.519	-1.124	1.344	1.827
CHELPG
AIM
ESP

	x	y	z
x	4.220	-0.032	-0.083
y	-0.032	3.819	-0.131
z	-0.083	-0.131	3.735

<r²>	50.210
(<r²>)^1/2	7.086

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)