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	hartrees
Energy at 0K	-171.016866
Energy at 298.15K	-171.023490
HF Energy	-171.016866
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3837	3640	12.34
2	A	3630	3443	0.86
3	A	3538	3355	0.51
4	A	3160	2997	35.63
5	A	3064	2907	69.30
6	A	1716	1628	28.70
7	A	1545	1466	0.12
8	A	1459	1383	48.53
9	A	1413	1340	2.37
10	A	1405	1332	3.51
11	A	1191	1129	28.45
12	A	1137	1079	30.91
13	A	1062	1007	240.48
14	A	933	885	4.02
15	A	864	820	171.67
16	A	486	461	51.26
17	A	424	402	125.24
18	A	304	288	73.64

Atom	x (Å)	y (Å)	z (Å)
N1	1.227	-0.156	-0.019
C2	-0.035	0.533	0.048
O3	-1.196	-0.264	-0.117
H4	1.275	-0.705	-0.873
H5	1.340	-0.797	0.761
H6	-0.068	1.080	1.000
H7	-0.077	1.260	-0.765
H8	-1.279	-0.833	0.658

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4393	2.4277	1.0159	1.0160	2.0605	2.0648	2.6821
C2	1.4393		1.4186	2.0244	2.0414	1.0984	1.0920	1.9457
O3	2.4277	1.4186		2.6222	2.7365	2.0806	1.9992	0.9648
H4	1.0159	2.0244	2.6222		1.6377	2.9156	2.3881	2.9802
H5	1.0160	2.0414	2.7365	1.6377		2.3590	2.9275	2.6208
H6	2.0605	1.0984	2.0806	2.9156	2.3590		1.7746	2.2901
H7	2.0648	1.0920	1.9992	2.3881	2.9275	1.7746		2.8020
H8	2.6821	1.9457	0.9648	2.9802	2.6208	2.2901	2.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.300	N1	C2	H6	107.819
N1	C2	H7	108.536	C2	N1	H4	109.885
C2	N1	H5	111.324	C2	O3	H8	107.918
O3	C2	H6	110.863	O3	C2	H7	104.805
H4	N1	H5	107.417	H6	C2	H7	108.230

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: wB97X-D/6-31G*

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	-0.735
2	C	0.006
3	O	-0.626
4	H	0.322
5	H	0.307
6	H	0.152
7	H	0.181
8	H	0.393

	x	y	z	Total
	0.202	-1.285	1.324	1.856
CHELPG
AIM
ESP

	x	y	z
x	3.288	-0.128	-0.081
y	-0.128	3.164	-0.181
z	-0.081	-0.181	3.281

<r²>	49.335
(<r²>)^1/2	7.024

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)