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	hartrees
Energy at 0K	-170.880292
Energy at 298.15K	-170.886853
HF Energy	-170.880292
Nuclear repulsion energy	81.520428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3617	5.85
2	A	3451	3431	0.32
3	A	3368	3349	2.00
4	A	3021	3003	31.82
5	A	2925	2908	72.92
6	A	1603	1594	14.08
7	A	1423	1415	0.20
8	A	1371	1363	40.98
9	A	1338	1330	1.93
10	A	1321	1313	1.33
11	A	1134	1128	22.85
12	A	1084	1078	18.43
13	A	978	972	223.91
14	A	883	878	3.65
15	A	827	822	130.52
16	A	463	460	49.78
17	A	420	418	92.99
18	A	307	306	48.34

Atom	x (Å)	y (Å)	z (Å)
N1	1.240	-0.155	-0.024
C2	-0.030	0.534	0.048
O3	-1.212	-0.262	-0.114
H4	1.250	-0.747	-0.868
H5	1.335	-0.805	0.771
H6	-0.051	1.103	1.008
H7	-0.081	1.268	-0.783
H8	-1.261	-0.845	0.670

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4466	2.4556	1.0312	1.0311	2.0767	2.0841	2.6857
C2	1.4466		1.4342	2.0296	2.0439	1.1159	1.1093	1.9506
O3	2.4556	1.4342		2.6197	2.7497	2.1142	2.0166	0.9787
H4	1.0312	2.0296	2.6197		1.6423	2.9383	2.4161	2.9464
H5	1.0311	2.0439	2.7497	1.6423		2.3694	2.9515	2.5977
H6	2.0767	1.1159	2.1142	2.9383	2.3694		1.7984	2.3176
H7	2.0841	1.1093	2.0166	2.4161	2.9515	1.7984		2.8228
H8	2.6857	1.9506	0.9787	2.9464	2.5977	2.3176	2.8228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.946	N1	C2	H6	107.571
N1	C2	H7	108.532	C2	N1	H4	108.830
C2	N1	H5	110.024	C2	O3	H8	106.348
O3	C2	H6	111.393	O3	C2	H7	104.175
H4	N1	H5	105.557	H6	C2	H7	107.844

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/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	-0.170
2	C	0.088
3	O	-0.250
4	H	0.077
5	H	0.068
6	H	0.024
7	H	0.044
8	H	0.119

	x	y	z	Total
	0.266	-1.184	1.155	1.676
CHELPG
AIM
ESP

	x	y	z
x	3.817	-0.111	-0.124
y	-0.111	3.613	-0.176
z	-0.124	-0.176	3.560

<r²>	50.010
(<r²>)^1/2	7.072

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)