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	hartrees
Energy at 0K	-170.912688
Energy at 298.15K	-170.919274
HF Energy	-170.912688
Nuclear repulsion energy	82.520807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3869	3706	15.52
2	A	3626	3473	2.04
3	A	3538	3388	0.43
4	A	3113	2981	29.97
5	A	3030	2902	61.57
6	A	1671	1600	22.24
7	A	1502	1439	0.06
8	A	1431	1370	41.96
9	A	1393	1334	0.97
10	A	1384	1325	3.15
11	A	1178	1128	25.66
12	A	1126	1079	26.72
13	A	1046	1002	208.61
14	A	913	875	3.02
15	A	839	804	150.11
16	A	482	461	46.67
17	A	406	389	98.94
18	A	293	280	57.06

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.155	-0.022
C2	-0.035	0.531	0.047
O3	-1.194	-0.263	-0.113
H4	1.261	-0.721	-0.863
H5	1.340	-0.782	0.766
H6	-0.065	1.087	0.995
H7	-0.081	1.258	-0.770
H8	-1.259	-0.842	0.650

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4350	2.4216	1.0137	1.0135	2.0585	2.0639	2.6617
C2	1.4350		1.4143	2.0181	2.0328	1.0995	1.0943	1.9358
O3	2.4216	1.4143		2.6071	2.7321	2.0798	1.9958	0.9597
H4	1.0137	2.0181	2.6071		1.6314	2.9113	2.3929	2.9410
H5	1.0135	2.0328	2.7321	1.6314		2.3494	2.9226	2.6024
H6	2.0585	1.0995	2.0798	2.9113	2.3494		1.7733	2.2948
H7	2.0639	1.0943	1.9958	2.3929	2.9226	1.7733		2.7950
H8	2.6617	1.9358	0.9597	2.9410	2.6024	2.2948	2.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.401	N1	C2	H6	107.883
N1	C2	H7	108.617	C2	N1	H4	109.805
C2	N1	H5	111.070	C2	O3	H8	107.716
O3	C2	H6	111.043	O3	C2	H7	104.702
H4	N1	H5	107.173	H6	C2	H7	107.857

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.544
2	C	-0.059
3	O	-0.437
4	H	0.251
5	H	0.241
6	H	0.118
7	H	0.143
8	H	0.287

	x	y	z	Total
	0.245	-1.180	1.181	1.687
CHELPG
AIM
ESP

	x	y	z
x	3.649	-0.116	-0.087
y	-0.116	3.500	-0.145
z	-0.087	-0.145	3.483

<r²>	49.040
(<r²>)^1/2	7.003

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)