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	hartrees
Energy at 0K	-170.932378
Energy at 298.15K	-170.938909
HF Energy	-170.932378
Nuclear repulsion energy	82.202928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3857	3711	23.27
2	A	3626	3489	4.62
3	A	3534	3400	2.10
4	A	3135	3016	24.33
5	A	3055	2940	52.45
6	A	1651	1588	28.44
7	A	1479	1424	0.41
8	A	1409	1355	37.27
9	A	1375	1323	2.06
10	A	1354	1303	3.50
11	A	1167	1123	53.09
12	A	1116	1074	22.35
13	A	1020	982	214.26
14	A	906	872	2.78
15	A	797	767	144.60
16	A	477	459	46.08
17	A	395	380	84.52
18	A	271	261	71.36

Atom	x (Å)	y (Å)	z (Å)
N1	1.224	-0.159	-0.020
C2	-0.030	0.533	0.048
O3	-1.201	-0.263	-0.116
H4	1.295	-0.706	-0.872
H5	1.363	-0.783	0.768
H6	-0.068	1.082	1.002
H7	-0.077	1.261	-0.771
H8	-1.291	-0.839	0.650

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4331	2.4285	1.0155	1.0153	2.0618	2.0666	2.6902
C2	1.4331		1.4251	2.0340	2.0469	1.1014	1.0968	1.9587
O3	2.4285	1.4251		2.6454	2.7613	2.0835	2.0030	0.9625
H4	1.0155	2.0340	2.6454		1.6440	2.9270	2.4002	3.0039
H5	1.0153	2.0469	2.7613	1.6440		2.3619	2.9361	2.6575
H6	2.0618	1.1014	2.0835	2.9270	2.3619		1.7823	2.3051
H7	2.0666	1.0968	2.0030	2.4002	2.9361	1.7823		2.8111
H8	2.6902	1.9587	0.9625	3.0039	2.6575	2.3051	2.8111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.355	N1	C2	H6	108.164
N1	C2	H7	108.817	C2	N1	H4	111.188
C2	N1	H5	112.319	C2	O3	H8	108.695
O3	C2	H6	110.458	O3	C2	H7	104.414
H4	N1	H5	108.099	H6	C2	H7	108.345

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HSEh1PBE/aug-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	-0.151
2	C	1.044
3	O	-0.444
4	H	-0.035
5	H	-0.050
6	H	-0.206
7	H	-0.249
8	H	0.090

	x	y	z	Total
	0.382	-1.013	1.230	1.639
CHELPG
AIM
ESP

	x	y	z
x	5.062	0.058	-0.061
y	0.058	4.513	-0.047
z	-0.061	-0.047	4.195

<r²>	49.916
(<r²>)^1/2	7.065

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)