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	hartrees
Energy at 0K	-171.035166
Energy at 298.15K	-171.041719
HF Energy	-171.035166
Nuclear repulsion energy	82.208265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3884	3884	33.07
2	A	3618	3618	7.72
3	A	3525	3525	2.95
4	A	3155	3155	23.78
5	A	3079	3079	48.57
6	A	1643	1643	31.81
7	A	1486	1486	0.26
8	A	1419	1419	41.03
9	A	1375	1375	0.97
10	A	1359	1359	5.86
11	A	1173	1173	52.39
12	A	1123	1123	30.57
13	A	1053	1053	194.53
14	A	909	909	3.40
15	A	805	805	143.49
16	A	483	483	48.37
17	A	388	388	90.01
18	A	282	282	70.22

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.159	-0.020
C2	-0.033	0.538	0.048
O3	-1.197	-0.265	-0.115
H4	1.284	-0.709	-0.873
H5	1.355	-0.785	0.769
H6	-0.071	1.082	1.002
H7	-0.079	1.262	-0.772
H8	-1.281	-0.848	0.647

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4384	2.4246	1.0160	1.0157	2.0650	2.0691	2.6820
C2	1.4384		1.4235	2.0338	2.0480	1.0992	1.0949	1.9590
O3	2.4246	1.4235		2.6316	2.7500	2.0808	2.0031	0.9629
H4	1.0160	2.0338	2.6316		1.6446	2.9260	2.3986	2.9844
H5	1.0157	2.0480	2.7500	1.6446		2.3610	2.9358	2.6395
H6	2.0650	1.0992	2.0808	2.9260	2.3610		1.7833	2.3055
H7	2.0691	1.0949	2.0031	2.3986	2.9358	1.7833		2.8124
H8	2.6820	1.9590	0.9629	2.9844	2.6395	2.3055	2.8124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.817	N1	C2	H6	108.191
N1	C2	H7	108.767	C2	N1	H4	110.746
C2	N1	H5	111.983	C2	O3	H8	108.809
O3	C2	H6	110.478	O3	C2	H7	104.629
H4	N1	H5	108.091	H6	C2	H7	108.735

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: M06-2X/aug-cc-pVDZ

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	-0.050
2	C	1.097
3	O	-0.404
4	H	-0.045
5	H	-0.065
6	H	-0.295
7	H	-0.333
8	H	0.097

	x	y	z	Total
	0.337	-0.999	1.247	1.633
CHELPG
AIM
ESP

	x	y	z
x	4.860	0.046	-0.050
y	0.046	4.395	-0.064
z	-0.050	-0.064	4.096

<r²>	49.836
(<r²>)^1/2	7.059

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)