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	hartrees
Energy at 0K	-170.978612
Energy at 298.15K	-170.985145
HF Energy	-170.978612
Nuclear repulsion energy	82.507885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3872	3872	22.73
2	A	3633	3633	4.31
3	A	3545	3545	1.49
4	A	3117	3117	26.19
5	A	3041	3041	55.71
6	A	1665	1665	28.06
7	A	1501	1501	0.15
8	A	1422	1422	34.60
9	A	1387	1387	1.28
10	A	1371	1371	5.94
11	A	1169	1169	41.65
12	A	1117	1117	26.58
13	A	1024	1024	222.62
14	A	909	909	3.68
15	A	801	801	160.00
16	A	483	483	48.54
17	A	397	397	85.05
18	A	271	271	74.95

Atom	x (Å)	y (Å)	z (Å)
N1	1.220	-0.158	-0.020
C2	-0.031	0.530	0.048
O3	-1.197	-0.262	-0.116
H4	1.296	-0.699	-0.870
H5	1.363	-0.777	0.766
H6	-0.068	1.076	0.996
H7	-0.076	1.257	-0.764
H8	-1.291	-0.833	0.648

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4291	2.4208	1.0107	1.0105	2.0529	2.0581	2.6845
C2	1.4291		1.4193	2.0284	2.0413	1.0951	1.0902	1.9517
O3	2.4208	1.4193		2.6413	2.7558	2.0739	1.9957	0.9587
H4	1.0107	2.0284	2.6413		1.6396	2.9148	2.3918	3.0030
H5	1.0105	2.0413	2.7558	1.6396		2.3524	2.9238	2.6569
H6	2.0529	1.0951	2.0739	2.9148	2.3524		1.7694	2.2942
H7	2.0581	1.0902	1.9957	2.3918	2.9238	1.7694		2.7999
H8	2.6845	1.9517	0.9587	3.0030	2.6569	2.2942	2.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.405	N1	C2	H6	108.111
N1	C2	H7	108.819	C2	N1	H4	111.329
C2	N1	H5	112.464	C2	O3	H8	108.770
O3	C2	H6	110.477	O3	C2	H7	104.594
H4	N1	H5	108.424	H6	C2	H7	108.130

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HSEh1PBE/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	-0.350
2	C	0.079
3	O	-0.342
4	H	0.146
5	H	0.131
6	H	0.077
7	H	0.085
8	H	0.174

	x	y	z	Total
	0.373	-1.086	1.246	1.695
CHELPG
AIM
ESP

	x	y	z
x	4.375	-0.042	-0.079
y	-0.042	3.990	-0.105
z	-0.079	-0.105	3.854

<r²>	49.476
(<r²>)^1/2	7.034

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)