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	hartrees
Energy at 0K	-170.880294
Energy at 298.15K	-170.886855
HF Energy	-170.880294
Nuclear repulsion energy	81.520739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3616	5.85
2	A	3451	3431	0.31
3	A	3369	3349	2.01
4	A	3021	3004	31.80
5	A	2925	2908	72.94
6	A	1604	1594	14.08
7	A	1423	1415	0.21
8	A	1370	1362	40.93
9	A	1338	1330	1.91
10	A	1321	1314	1.32
11	A	1135	1128	22.77
12	A	1084	1078	18.38
13	A	978	972	224.37
14	A	883	878	3.62
15	A	828	823	130.68
16	A	463	460	48.24
17	A	420	417	91.37
18	A	307	305	51.14

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	-0.869
H5	1.334	-0.805	0.770
H6	-0.051	1.103	1.008
H7	-0.080	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	2.6856
C2	1.4466		1.4342	2.0295	2.0437	1.1159	1.1093	1.9507
O3	2.4556	1.4342		2.6198	2.7491	2.1141	2.0167	0.9787
H4	1.0312	2.0295	2.6198		1.6422	2.9383	2.4159	2.9466
H5	1.0311	2.0437	2.7491	1.6422		2.3695	2.9515	2.5970
H6	2.0767	1.1159	2.1141	2.9383	2.3695		1.7985	2.3176
H7	2.0841	1.1093	2.0167	2.4159	2.9515	1.7985		2.8229
H8	2.6856	1.9507	0.9787	2.9466	2.5970	2.3176	2.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.943	N1	C2	H6	107.568
N1	C2	H7	108.536	C2	N1	H4	108.826
C2	N1	H5	110.011	C2	O3	H8	106.353
O3	C2	H6	111.386	O3	C2	H7	104.183
H4	N1	H5	105.550	H6	C2	H7	107.848

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/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	-1.185	1.154	1.675
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>	50.009
(<r²>)^1/2	7.072

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)