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	hartrees
Energy at 0K	-170.941954
Energy at 298.15K	-170.948617
HF Energy	-170.775252
Nuclear repulsion energy	82.178066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3808	3808	6.78
2	A	3615	3615	0.39
3	A	3529	3529	0.96
4	A	3158	3158	34.61
5	A	3063	3063	70.20
6	A	1741	1741	35.57
7	A	1534	1534	0.11
8	A	1458	1458	44.91
9	A	1421	1421	1.85
10	A	1404	1404	2.39
11	A	1188	1188	26.58
12	A	1117	1117	27.08
13	A	1025	1025	274.80
14	A	931	931	3.06
15	A	868	868	158.40
16	A	484	484	57.18
17	A	438	438	123.84
18	A	322	322	75.69

Atom	x (Å)	y (Å)	z (Å)
N1	1.228	-0.159	-0.022
C2	-0.031	0.536	0.047
O3	-1.203	-0.263	-0.114
H4	1.274	-0.715	-0.867
H5	1.354	-0.781	0.768
H6	-0.062	1.082	0.995
H7	-0.079	1.253	-0.770
H8	-1.280	-0.840	0.652

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4401	2.4352	1.0128	1.0129	2.0593	2.0651	2.6849
C2	1.4401		1.4273	2.0257	2.0427	1.0947	1.0882	1.9543
O3	2.4352	1.4273		2.6278	2.7541	2.0833	1.9980	0.9619
H4	1.0128	2.0257	2.6278		1.6382	2.9126	2.3908	2.9737
H5	1.0129	2.0427	2.7541	1.6382		2.3513	2.9253	2.6376
H6	2.0593	1.0947	2.0833	2.9126	2.3513		1.7733	2.3014
H7	2.0651	1.0882	1.9980	2.3908	2.9253	1.7733		2.8009
H8	2.6849	1.9543	0.9619	2.9737	2.6376	2.3014	2.8009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.262	N1	C2	H6	107.891
N1	C2	H7	108.730	C2	N1	H4	110.129
C2	N1	H5	111.576	C2	O3	H8	108.181
O3	C2	H6	110.699	O3	C2	H7	104.358
H4	N1	H5	107.941	H6	C2	H7	108.654

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B2PLYP/6-311G*

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	-0.735
2	C	-0.095
3	O	-0.563
4	H	0.316
5	H	0.302
6	H	0.194
7	H	0.217
8	H	0.362

	x	y	z	Total
	0.317	-1.244	1.387	1.890
CHELPG
AIM
ESP

	x	y	z
x	3.650	-0.063	-0.095
y	-0.063	3.414	-0.170
z	-0.095	-0.170	3.415

<r²>	49.805
(<r²>)^1/2	7.057

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)