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	hartrees
Energy at 0K	-171.092012
Energy at 298.15K	-171.098577
HF Energy	-171.092012
Nuclear repulsion energy	82.117725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3806	3673	10.87
2	A	3576	3451	0.81
3	A	3494	3372	0.35
4	A	3091	2982	30.97
5	A	3011	2906	62.32
6	A	1670	1611	19.40
7	A	1503	1451	0.14
8	A	1429	1379	39.94
9	A	1390	1341	0.70
10	A	1380	1332	4.36
11	A	1168	1127	19.33
12	A	1102	1063	23.09
13	A	1012	977	220.73
14	A	912	880	3.38
15	A	833	804	145.76
16	A	476	459	44.50
17	A	401	387	93.73
18	A	293	283	56.65

Atom	x (Å)	y (Å)	z (Å)
N1	1.231	-0.157	-0.022
C2	-0.033	0.535	0.047
O3	-1.202	-0.263	-0.113
H4	1.269	-0.724	-0.864
H5	1.348	-0.785	0.768
H6	-0.063	1.089	0.996
H7	-0.081	1.259	-0.772
H8	-1.271	-0.844	0.652

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4426	2.4368	1.0157	1.0156	2.0646	2.0704	2.6800
C2	1.4426		1.4248	2.0274	2.0415	1.0990	1.0940	1.9490
O3	2.4368	1.4248		2.6229	2.7475	2.0870	2.0020	0.9631
H4	1.0157	2.0274	2.6229		1.6344	2.9188	2.4003	2.9597
H5	1.0156	2.0415	2.7475	1.6344		2.3564	2.9303	2.6214
H6	2.0646	1.0990	2.0870	2.9188	2.3564		1.7764	2.3042
H7	2.0704	1.0940	2.0020	2.4003	2.9303	1.7764		2.8043
H8	2.6800	1.9490	0.9631	2.9597	2.6214	2.3042	2.8043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.386	N1	C2	H6	107.885
N1	C2	H7	108.635	C2	N1	H4	109.902
C2	N1	H5	111.110	C2	O3	H8	107.849
O3	C2	H6	110.915	O3	C2	H7	104.516
H4	N1	H5	107.148	H6	C2	H7	108.202

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	-0.486
2	C	-0.040
3	O	-0.409
4	H	0.230
5	H	0.219
6	H	0.097
7	H	0.120
8	H	0.269

	x	y	z	Total
	0.271	-1.144	1.172	1.660
CHELPG
AIM
ESP

	x	y	z
x	3.694	-0.112	-0.096
y	-0.112	3.519	-0.156
z	-0.096	-0.156	3.508

<r²>	49.506
(<r²>)^1/2	7.036

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)