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	hartrees
Energy at 0K	-171.095840
Energy at 298.15K	-171.102358
HF Energy	-171.095840
Nuclear repulsion energy	82.337023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3850	3850	20.51
2	A	3615	3615	3.73
3	A	3528	3528	1.24
4	A	3107	3107	26.08
5	A	3031	3031	55.56
6	A	1661	1661	27.02
7	A	1498	1498	0.13
8	A	1417	1417	32.56
9	A	1383	1383	1.36
10	A	1365	1365	6.21
11	A	1161	1161	36.80
12	A	1107	1107	27.68
13	A	1007	1007	225.81
14	A	905	905	3.94
15	A	796	796	159.33
16	A	480	480	47.09
17	A	395	395	83.84
18	A	270	270	74.63

Atom	x (Å)	y (Å)	z (Å)
N1	1.223	-0.159	-0.019
C2	-0.030	0.531	0.048
O3	-1.201	-0.262	-0.116
H4	1.301	-0.700	-0.871
H5	1.366	-0.779	0.767
H6	-0.068	1.076	0.996
H7	-0.076	1.257	-0.765
H8	-1.298	-0.830	0.651

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4319	2.4282	1.0115	1.0113	2.0554	2.0604	2.6939
C2	1.4319		1.4237	2.0319	2.0445	1.0951	1.0902	1.9559
O3	2.4282	1.4237		2.6495	2.7630	2.0769	1.9984	0.9600
H4	1.0115	2.0319	2.6495		1.6405	2.9179	2.3944	3.0147
H5	1.0113	2.0445	2.7630	1.6405		2.3560	2.9266	2.6667
H6	2.0554	1.0951	2.0769	2.9179	2.3560		1.7701	2.2953
H7	2.0604	1.0902	1.9984	2.3944	2.9266	1.7701		2.8027
H8	2.6939	1.9559	0.9600	3.0147	2.6667	2.2953	2.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.498	N1	C2	H6	108.118
N1	C2	H7	108.807	C2	N1	H4	111.359
C2	N1	H5	112.474	C2	O3	H8	108.712
O3	C2	H6	110.409	O3	C2	H7	104.514
H4	N1	H5	108.385	H6	C2	H7	108.190

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/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	-0.341
2	C	0.069
3	O	-0.341
4	H	0.142
5	H	0.127
6	H	0.084
7	H	0.091
8	H	0.170

	x	y	z	Total
	0.379	-1.072	1.246	1.686
CHELPG
AIM
ESP

	x	y	z
x	4.403	-0.041	-0.079
y	-0.041	3.994	-0.105
z	-0.079	-0.105	3.862

<r²>	49.630
(<r²>)^1/2	7.045

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)