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	hartrees
Energy at 0K	-170.963845
Energy at 298.15K	-170.970380
HF Energy	-170.963845
Nuclear repulsion energy	82.519129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3877	3877	22.88
2	A	3634	3634	4.20
3	A	3546	3546	1.49
4	A	3117	3117	25.96
5	A	3040	3040	55.33
6	A	1664	1664	28.03
7	A	1500	1500	0.15
8	A	1421	1421	34.94
9	A	1387	1387	1.29
10	A	1371	1371	5.69
11	A	1169	1169	41.75
12	A	1119	1119	26.51
13	A	1029	1029	219.85
14	A	908	908	3.70
15	A	804	804	159.51
16	A	483	483	48.18
17	A	397	397	85.27
18	A	272	272	74.64

Atom	x (Å)	y (Å)	z (Å)
N1	1.220	-0.158	-0.020
C2	-0.031	0.530	0.048
O3	-1.196	-0.262	-0.116
H4	1.294	-0.700	-0.870
H5	1.361	-0.778	0.766
H6	-0.069	1.076	0.996
H7	-0.077	1.257	-0.764
H8	-1.289	-0.833	0.649

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4294	2.4205	1.0111	1.0108	2.0532	2.0584	2.6830
C2	1.4294		1.4183	2.0277	2.0406	1.0954	1.0906	1.9499
O3	2.4205	1.4183		2.6389	2.7535	2.0736	1.9954	0.9588
H4	1.0111	2.0277	2.6389		1.6393	2.9147	2.3916	2.9995
H5	1.0108	2.0406	2.7535	1.6393		2.3523	2.9236	2.6528
H6	2.0532	1.0954	2.0736	2.9147	2.3523		1.7698	2.2929
H7	2.0584	1.0906	1.9954	2.3916	2.9236	1.7698		2.7992
H8	2.6830	1.9499	0.9588	2.9995	2.6528	2.2929	2.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.417	N1	C2	H6	108.093
N1	C2	H7	108.790	C2	N1	H4	111.214
C2	N1	H5	112.355	C2	O3	H8	108.687
O3	C2	H6	110.504	O3	C2	H7	104.619
H4	N1	H5	108.340	H6	C2	H7	108.112

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/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	-0.362
2	C	0.068
3	O	-0.342
4	H	0.154
5	H	0.139
6	H	0.079
7	H	0.086
8	H	0.179

	x	y	z	Total
	0.362	-1.092	1.244	1.695
CHELPG
AIM
ESP

	x	y	z
x	4.361	-0.044	-0.079
y	-0.044	3.985	-0.105
z	-0.079	-0.105	3.850

<r²>	49.447
(<r²>)^1/2	7.032

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)