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	hartrees
Energy at 0K	-168.746236
Energy at 298.15K	-168.752605
HF Energy	-168.746236
Nuclear repulsion energy	78.719508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3537	49.82
2	A	3519	3519	19.34
3	A	3329	3329	25.66
4	A	3318	3318	6.28
5	A	3175	3175	21.08
6	A	1831	1831	2.51
7	A	1588	1588	0.88
8	A	1550	1550	12.32
9	A	1463	1463	1.11
10	A	1431	1431	23.21
11	A	1207	1207	0.04
12	A	1178	1178	13.46
13	A	1036	1036	59.84
14	A	918	918	9.59
15	A	873	873	70.54
16	A	432	432	52.77
17	A	410	410	55.79
18	A	321	321	33.28

Atom	x (Å)	y (Å)	z (Å)
N1	1.311	-0.156	-0.016
C2	-0.046	0.563	0.053
O3	-1.248	-0.277	-0.130
H4	1.220	-0.756	-0.902
H5	1.232	-0.913	0.742
H6	-0.058	1.122	1.027
H7	-0.068	1.298	-0.787
H8	-1.244	-0.822	0.754

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5367	2.5641	1.0731	1.0743	2.1437	2.1471	2.7505
C2	1.5367		1.4780	2.0623	2.0703	1.1227	1.1167	1.9610
O3	2.5641	1.4780		2.6299	2.7050	2.1706	2.0747	1.0385
H4	1.0731	2.0623	2.6299		1.6508	2.9798	2.4273	2.9697
H5	1.0743	2.0703	2.7050	1.6508		2.4268	2.9863	2.4784
H6	2.1437	1.1227	2.1706	2.9798	2.4268		1.8222	2.2938
H7	2.1471	1.1167	2.0747	2.4273	2.9863	1.8222		2.8728
H8	2.7505	1.9610	1.0385	2.9697	2.4784	2.2938	2.8728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.525	N1	C2	H6	106.382
N1	C2	H7	106.962	C2	N1	H4	102.964
C2	N1	H5	103.496	C2	O3	H8	100.941
O3	C2	H6	112.433	O3	C2	H7	105.331
H4	N1	H5	100.484	H6	C2	H7	108.914

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/STO-3G

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	-0.350
2	C	-0.000
3	O	-0.237
4	H	0.148
5	H	0.136
6	H	0.066
7	H	0.080
8	H	0.157

	x	y	z	Total
	-0.483	-1.124	0.931	1.538
CHELPG
AIM
ESP

	x	y	z
x	2.028	-0.031	-0.125
y	-0.031	1.922	-0.266
z	-0.125	-0.266	2.054

<r²>	51.764
(<r²>)^1/2	7.195

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)