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	hartrees
Energy at 0K	-168.773675
Energy at 298.15K	-168.780122
HF Energy	-168.773675
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3787	39.96
2	A	3727	3727	10.08
3	A	3540	3540	13.73
4	A	3441	3441	1.23
5	A	3308	3308	12.66
6	A	1879	1879	4.46
7	A	1646	1646	0.46
8	A	1604	1604	14.31
9	A	1503	1503	0.84
10	A	1489	1489	21.72
11	A	1252	1252	0.61
12	A	1204	1204	5.02
13	A	1129	1129	68.33
14	A	956	956	10.32
15	A	931	931	76.60
16	A	457	457	32.22
17	A	403	403	91.84
18	A	322	322	36.09

Atom	x (Å)	y (Å)	z (Å)
N1	1.282	-0.157	-0.014
C2	-0.046	0.560	0.054
O3	-1.228	-0.277	-0.129
H4	1.244	-0.720	-0.907
H5	1.240	-0.905	0.734
H6	-0.069	1.110	1.022
H7	-0.066	1.298	-0.772
H8	-1.228	-0.831	0.729

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.5101	2.5152	1.0573	1.0584	2.1220	2.1238	2.7036
C2	1.5101		1.4597	2.0559	2.0637	1.1137	1.1088	1.9467
O3	2.5152	1.4597		2.6288	2.6887	2.1427	2.0598	1.0220
H4	1.0573	2.0559	2.6288		1.6516	2.9662	2.4105	2.9670
H5	1.0584	2.0637	2.6887	1.6516		2.4196	2.9712	2.4696
H6	2.1220	1.1137	2.1427	2.9662	2.4196		1.8047	2.2799
H7	2.1238	1.1088	2.0598	2.4105	2.9712	1.8047		2.8531
H8	2.7036	1.9467	1.0220	2.9670	2.4696	2.2799	2.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.746	N1	C2	H6	106.983
N1	C2	H7	107.389	C2	N1	H4	105.037
C2	N1	H5	105.575	C2	O3	H8	101.880
O3	C2	H6	112.045	O3	C2	H7	105.820
H4	N1	H5	102.639	H6	C2	H7	108.594

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: wB97X-D/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	-0.375
2	C	0.006
3	O	-0.255
4	H	0.157
5	H	0.145
6	H	0.071
7	H	0.086
8	H	0.164

	x	y	z	Total
	-0.389	-1.146	0.956	1.542
CHELPG
AIM
ESP

	x	y	z
x	1.798	-0.040	-0.126
y	-0.040	1.840	-0.277
z	-0.126	-0.277	1.982

<r²>	50.668
(<r²>)^1/2	7.118

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)