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	hartrees
Energy at 0K	-170.975298
Energy at 298.15K	-170.981829
HF Energy	-170.975298
Nuclear repulsion energy	82.443172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3859	3712	24.77
2	A	3630	3492	6.10
3	A	3543	3407	2.32
4	A	3117	2998	22.98
5	A	3042	2926	50.19
6	A	1663	1600	29.11
7	A	1501	1443	0.25
8	A	1418	1364	32.84
9	A	1386	1333	1.38
10	A	1367	1315	5.90
11	A	1165	1120	45.28
12	A	1113	1071	27.91
13	A	1017	978	221.74
14	A	907	872	3.54
15	A	793	763	151.59
16	A	481	463	46.63
17	A	393	378	78.92
18	A	271	260	74.42

Atom	x (Å)	y (Å)	z (Å)
N1	1.220	-0.159	-0.019
C2	-0.030	0.530	0.048
O3	-1.198	-0.262	-0.117
H4	1.304	-0.695	-0.872
H5	1.365	-0.778	0.766
H6	-0.070	1.075	0.997
H7	-0.076	1.256	-0.764
H8	-1.299	-0.829	0.651

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4293	2.4231	1.0107	1.0104	2.0538	2.0583	2.6920
C2	1.4293		1.4215	2.0311	2.0430	1.0945	1.0899	1.9553
O3	2.4231	1.4215		2.6491	2.7600	2.0738	1.9962	0.9595
H4	1.0107	2.0311	2.6491		1.6415	2.9170	2.3915	3.0185
H5	1.0104	2.0430	2.7600	1.6415		2.3547	2.9248	2.6673
H6	2.0538	1.0945	2.0738	2.9170	2.3547		1.7699	2.2927
H7	2.0583	1.0899	1.9962	2.3915	2.9248	1.7699		2.8013
H8	2.6920	1.9553	0.9595	3.0185	2.6673	2.2927	2.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.415	N1	C2	H6	108.198
N1	C2	H7	108.835	C2	N1	H4	111.537
C2	N1	H5	112.602	C2	O3	H8	108.860
O3	C2	H6	110.345	O3	C2	H7	104.513
H4	N1	H5	108.624	H6	C2	H7	108.237

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HSEh1PBE/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	-0.372
2	C	-0.009
3	O	-0.461
4	H	0.079
5	H	0.070
6	H	0.259
7	H	0.303
8	H	0.132

	x	y	z	Total
	0.390	-0.998	1.235	1.635
CHELPG
AIM
ESP

	x	y	z
x	5.050	0.050	-0.068
y	0.050	4.503	-0.045
z	-0.068	-0.045	4.185

<r²>	49.694
(<r²>)^1/2	7.049

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)