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	hartrees
Energy at 0K	-171.092511
Energy at 298.15K	-171.099031
HF Energy	-171.092511
Nuclear repulsion energy	82.274520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3838	3704	22.51
2	A	3613	3486	5.32
3	A	3526	3403	2.03
4	A	3106	2997	23.00
5	A	3032	2926	50.17
6	A	1659	1601	28.11
7	A	1498	1446	0.22
8	A	1414	1365	30.96
9	A	1381	1333	1.49
10	A	1362	1314	6.10
11	A	1157	1117	40.14
12	A	1103	1065	29.11
13	A	1000	965	225.42
14	A	904	872	3.78
15	A	788	761	151.36
16	A	478	461	45.44
17	A	392	378	78.73
18	A	271	261	73.52

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.159	-0.019
C2	-0.029	0.531	0.048
O3	-1.202	-0.262	-0.117
H4	1.308	-0.695	-0.872
H5	1.368	-0.780	0.767
H6	-0.070	1.075	0.997
H7	-0.075	1.256	-0.764
H8	-1.307	-0.826	0.654

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4320	2.4303	1.0115	1.0112	2.0563	2.0605	2.7019
C2	1.4320		1.4260	2.0343	2.0461	1.0945	1.0899	1.9596
O3	2.4303	1.4260		2.6569	2.7669	2.0769	1.9990	0.9608
H4	1.0115	2.0343	2.6569		1.6424	2.9199	2.3938	3.0305
H5	1.0112	2.0461	2.7669	1.6424		2.3582	2.9275	2.6774
H6	2.0563	1.0945	2.0769	2.9199	2.3582		1.7705	2.2936
H7	2.0605	1.0899	1.9990	2.3938	2.9275	1.7705		2.8042
H8	2.7019	1.9596	0.9608	3.0305	2.6774	2.2936	2.8042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.502	N1	C2	H6	108.210
N1	C2	H7	108.823	C2	N1	H4	111.557
C2	N1	H5	112.605	C2	O3	H8	108.811
O3	C2	H6	110.279	O3	C2	H7	104.433
H4	N1	H5	108.583	H6	C2	H7	108.293

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/aug-cc-pVTZ

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	-0.380
2	C	0.030
3	O	-0.472
4	H	0.073
5	H	0.068
6	H	0.255
7	H	0.296
8	H	0.130

	x	y	z	Total
	0.396	-0.986	1.236	1.630
CHELPG
AIM
ESP

	x	y	z
x	5.084	0.050	-0.068
y	0.050	4.509	-0.045
z	-0.068	-0.045	4.193

<r²>	49.843
(<r²>)^1/2	7.060

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)