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	hartrees
Energy at 0K	-170.907820
Energy at 298.15K	-170.914446
HF Energy	-170.907820
Nuclear repulsion energy	82.356997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3820	3674	16.61
2	A	3588	3451	1.01
3	A	3503	3370	0.45
4	A	3119	3000	33.28
5	A	3027	2912	71.11
6	A	1658	1595	19.34
7	A	1481	1425	0.15
8	A	1422	1368	49.46
9	A	1385	1332	2.08
10	A	1373	1320	1.53
11	A	1177	1132	37.69
12	A	1130	1087	25.08
13	A	1051	1010	218.81
14	A	913	878	3.08
15	A	859	826	136.24
16	A	482	464	50.50
17	A	419	403	98.61
18	A	306	295	59.54

Atom	x (Å)	y (Å)	z (Å)
N1	1.225	-0.154	-0.022
C2	-0.033	0.532	0.048
O3	-1.195	-0.262	-0.114
H4	1.253	-0.727	-0.866
H5	1.327	-0.799	0.763
H6	-0.062	1.092	1.001
H7	-0.080	1.264	-0.772
H8	-1.256	-0.843	0.655

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4346	2.4237	1.0206	1.0205	2.0632	2.0686	2.6624
C2	1.4346		1.4163	2.0183	2.0324	1.1065	1.1004	1.9378
O3	2.4237	1.4163		2.6025	2.7228	2.0885	2.0014	0.9659
H4	1.0206	2.0183	2.6025		1.6325	2.9199	2.3984	2.9368
H5	1.0205	2.0324	2.7228	1.6325		2.3582	2.9313	2.5855
H6	2.0632	1.1065	2.0885	2.9199	2.3582		1.7816	2.3003
H7	2.0686	1.1004	2.0014	2.3984	2.9313	1.7816		2.8038
H8	2.6624	1.9378	0.9659	2.9368	2.5855	2.3003	2.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.456	N1	C2	H6	107.870
N1	C2	H7	108.664	C2	N1	H4	109.420
C2	N1	H5	110.623	C2	O3	H8	107.360
O3	C2	H6	111.165	O3	C2	H7	104.663
H4	N1	H5	106.218	H6	C2	H7	107.660

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HSEh1PBE/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	-0.217
2	C	0.121
3	O	-0.286
4	H	0.089
5	H	0.078
6	H	0.033
7	H	0.054
8	H	0.128

	x	y	z	Total
	0.262	-1.189	1.201	1.710
CHELPG
AIM
ESP

	x	y	z
x	3.517	-0.111	-0.099
y	-0.111	3.419	-0.166
z	-0.099	-0.166	3.389

<r²>	49.157
(<r²>)^1/2	7.011

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)