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	hartrees
Energy at 0K	-171.080275
Energy at 298.15K	-171.086849
HF Energy	-171.080275
Nuclear repulsion energy	82.468438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3897	3897	31.75
2	A	3626	3626	7.32
3	A	3538	3538	2.79
4	A	3137	3137	21.26
5	A	3066	3066	46.13
6	A	1661	1661	30.26
7	A	1516	1516	0.03
8	A	1434	1434	39.56
9	A	1392	1392	0.16
10	A	1372	1372	8.27
11	A	1174	1174	41.17
12	A	1123	1123	38.31
13	A	1054	1054	208.07
14	A	914	914	4.47
15	A	814	814	156.93
16	A	488	488	49.59
17	A	398	398	86.16
18	A	289	289	78.29

Atom	x (Å)	y (Å)	z (Å)
N1	1.220	-0.159	-0.020
C2	-0.033	0.536	0.048
O3	-1.194	-0.264	-0.115
H4	1.289	-0.700	-0.872
H5	1.354	-0.782	0.765
H6	-0.072	1.076	0.997
H7	-0.078	1.259	-0.763
H8	-1.281	-0.846	0.642

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4349	2.4184	1.0116	1.0113	2.0567	2.0614	2.6771
C2	1.4349		1.4188	2.0304	2.0438	1.0926	1.0882	1.9546
O3	2.4184	1.4188		2.6320	2.7457	2.0715	1.9966	0.9598
H4	1.0116	2.0304	2.6320		1.6404	2.9156	2.3917	2.9862
H5	1.0113	2.0438	2.7457	1.6404		2.3541	2.9250	2.6391
H6	2.0567	1.0926	2.0715	2.9156	2.3541		1.7699	2.2987
H7	2.0614	1.0882	1.9966	2.3917	2.9250	1.7699		2.8034
H8	2.6771	1.9546	0.9598	2.9862	2.6391	2.2987	2.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.871	N1	C2	H6	108.162
N1	C2	H7	108.796	C2	N1	H4	110.994
C2	N1	H5	112.175	C2	O3	H8	108.988
O3	C2	H6	110.469	O3	C2	H7	104.802
H4	N1	H5	108.368	H6	C2	H7	108.499

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: M06-2X/Def2TZVPP

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	-0.378
2	C	0.036
3	O	-0.371
4	H	0.153
5	H	0.137
6	H	0.111
7	H	0.114
8	H	0.197

	x	y	z	Total
	0.336	-1.062	1.262	1.683
CHELPG
AIM
ESP

	x	y	z
x	4.278	-0.036	-0.065
y	-0.036	3.946	-0.124
z	-0.065	-0.124	3.817

<r²>	49.506
(<r²>)^1/2	7.036

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: M06-2X/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)