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	hartrees
Energy at 0K	-171.058022
Energy at 298.15K	-171.064546
HF Energy	-171.058022
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3894	3728	26.35
2	A	3639	3484	4.73
3	A	3547	3396	2.07
4	A	3141	3007	25.44
5	A	3058	2928	52.63
6	A	1655	1584	29.98
7	A	1497	1433	0.37
8	A	1420	1360	38.55
9	A	1379	1320	2.47
10	A	1359	1301	4.10
11	A	1172	1122	48.78
12	A	1120	1072	28.10
13	A	1030	986	213.84
14	A	921	882	3.07
15	A	802	767	143.82
16	A	481	461	45.42
17	A	385	368	89.75
18	A	264	253	70.91

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.159	-0.020
C2	-0.032	0.536	0.049
O3	-1.200	-0.264	-0.116
H4	1.297	-0.702	-0.875
H5	1.359	-0.788	0.766
H6	-0.071	1.080	1.005
H7	-0.078	1.264	-0.769
H8	-1.287	-0.846	0.644

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4371	2.4285	1.0155	1.0153	2.0646	2.0697	2.6867
C2	1.4371		1.4251	2.0369	2.0498	1.1009	1.0959	1.9592
O3	2.4285	1.4251		2.6462	2.7571	2.0822	2.0048	0.9610
H4	1.0155	2.0369	2.6462		1.6447	2.9288	2.4010	3.0007
H5	1.0153	2.0498	2.7571	1.6447		2.3645	2.9382	2.6495
H6	2.0646	1.1009	2.0822	2.9288	2.3645		1.7834	2.3059
H7	2.0697	1.0959	2.0048	2.4010	2.9382	1.7834		2.8122
H8	2.6867	1.9592	0.9610	3.0007	2.6495	2.3059	2.8122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.092	N1	C2	H6	108.139
N1	C2	H7	108.839	C2	N1	H4	111.135
C2	N1	H5	112.255	C2	O3	H8	108.829
O3	C2	H6	110.383	O3	C2	H7	104.596
H4	N1	H5	108.160	H6	C2	H7	108.543

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: wB97X-D/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	-0.124
2	C	1.007
3	O	-0.426
4	H	-0.036
5	H	-0.054
6	H	-0.208
7	H	-0.246
8	H	0.087

	x	y	z	Total
	0.356	-1.016	1.238	1.640
CHELPG
AIM
ESP

	x	y	z
x	4.948	0.058	-0.052
y	0.058	4.457	-0.045
z	-0.052	-0.045	4.157

<r²>	49.898
(<r²>)^1/2	7.064

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)