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	hartrees
Energy at 0K	-171.155005
Energy at 298.15K	-171.161508
HF Energy	-171.155005
Nuclear repulsion energy	82.088826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3831	22.41
2	A	3595	3595	5.27
3	A	3512	3512	2.03
4	A	3097	3097	23.81
5	A	3025	3025	49.45
6	A	1663	1663	29.39
7	A	1508	1508	0.11
8	A	1420	1420	28.86
9	A	1383	1383	1.07
10	A	1362	1362	8.16
11	A	1153	1153	36.64
12	A	1090	1090	31.56
13	A	980	980	234.31
14	A	907	907	2.76
15	A	781	781	157.12
16	A	476	476	46.79
17	A	391	391	81.74
18	A	270	270	76.41

Atom	x (Å)	y (Å)	z (Å)
N1	1.226	-0.161	-0.019
C2	-0.029	0.534	0.048
O3	-1.206	-0.263	-0.116
H4	1.312	-0.700	-0.872
H5	1.378	-0.775	0.771
H6	-0.070	1.077	0.996
H7	-0.077	1.255	-0.766
H8	-1.311	-0.832	0.652

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4360	2.4360	1.0124	1.0121	2.0593	2.0641	2.7094
C2	1.4360		1.4312	2.0410	2.0531	1.0930	1.0884	1.9690
O3	2.4360	1.4312		2.6646	2.7793	2.0789	2.0006	0.9615
H4	1.0124	2.0410	2.6646		1.6454	2.9245	2.4005	3.0366
H5	1.0121	2.0531	2.7793	1.6454		2.3611	2.9326	2.6928
H6	2.0593	1.0930	2.0789	2.9245	2.3611		1.7712	2.3027
H7	2.0641	1.0884	2.0006	2.4005	2.9326	1.7712		2.8092
H8	2.7094	1.9690	0.9615	3.0366	2.6928	2.3027	2.8092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.343	N1	C2	H6	108.268
N1	C2	H7	108.925	C2	N1	H4	111.780
C2	N1	H5	112.858	C2	O3	H8	109.183
O3	C2	H6	110.169	O3	C2	H7	104.298
H4	N1	H5	108.734	H6	C2	H7	108.571

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/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	-0.787
2	C	0.516
3	O	-0.585
4	H	0.203
5	H	0.196
6	H	0.125
7	H	0.125
8	H	0.207

	x	y	z	Total
	0.433	-0.973	1.268	1.656
CHELPG
AIM
ESP

	x	y	z
x	5.057	0.047	-0.062
y	0.047	4.400	-0.044
z	-0.062	-0.044	4.080

<r²>	50.198
(<r²>)^1/2	7.085

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)