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	hartrees
Energy at 0K	-170.894372
Energy at 298.15K	-170.901002
HF Energy	-170.894372
Nuclear repulsion energy	82.373390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3827	3679	17.15
2	A	3592	3454	1.16
3	A	3507	3372	0.42
4	A	3121	3001	32.39
5	A	3029	2912	69.71
6	A	1658	1594	19.68
7	A	1481	1424	0.12
8	A	1422	1367	49.42
9	A	1385	1332	2.14
10	A	1373	1320	1.54
11	A	1178	1132	39.04
12	A	1132	1089	25.48
13	A	1054	1014	215.49
14	A	913	878	3.10
15	A	859	826	137.14
16	A	483	464	50.25
17	A	420	404	99.00
18	A	308	296	59.82

Atom	x (Å)	y (Å)	z (Å)
N1	1.225	-0.154	-0.022
C2	-0.034	0.531	0.048
O3	-1.194	-0.263	-0.114
H4	1.253	-0.726	-0.866
H5	1.326	-0.799	0.763
H6	-0.063	1.092	1.001
H7	-0.081	1.264	-0.772
H8	-1.256	-0.842	0.656

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4346	2.4233	1.0207	1.0206	2.0631	2.0684	2.6620
C2	1.4346		1.4155	2.0181	2.0323	1.1065	1.1004	1.9367
O3	2.4233	1.4155		2.6021	2.7222	2.0879	2.0009	0.9658
H4	1.0207	2.0181	2.6021		1.6324	2.9198	2.3979	2.9369
H5	1.0206	2.0323	2.7222	1.6324		2.3583	2.9310	2.5848
H6	2.0631	1.1065	2.0879	2.9198	2.3583		1.7814	2.2989
H7	2.0684	1.1004	2.0009	2.3979	2.9310	1.7814		2.8030
H8	2.6620	1.9367	0.9658	2.9369	2.5848	2.2989	2.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.477	N1	C2	H6	107.863
N1	C2	H7	108.643	C2	N1	H4	109.402
C2	N1	H5	110.609	C2	O3	H8	107.331
O3	C2	H6	111.172	O3	C2	H7	104.675
H4	N1	H5	106.204	H6	C2	H7	107.645

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/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	-0.220
2	C	0.123
3	O	-0.287
4	H	0.089
5	H	0.079
6	H	0.034
7	H	0.054
8	H	0.128

	x	y	z	Total
	0.256	-1.190	1.203	1.712
CHELPG
AIM
ESP

	x	y	z
x	3.509	-0.112	-0.098
y	-0.112	3.410	-0.166
z	-0.098	-0.166	3.381

<r²>	49.140
(<r²>)^1/2	7.010

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)