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	hartrees
Energy at 0K	-170.894465
Energy at 298.15K	-170.900952
HF Energy	-170.894465
Nuclear repulsion energy	81.378090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3659	12.53
2	A	3540	3499	4.41
3	A	3441	3401	0.94
4	A	3058	3023	24.11
5	A	2971	2937	55.26
6	A	1624	1605	35.67
7	A	1450	1434	0.16
8	A	1371	1355	34.30
9	A	1339	1324	2.59
10	A	1314	1299	2.16
11	A	1123	1110	46.12
12	A	1070	1058	27.65
13	A	941	930	251.70
14	A	878	868	3.17
15	A	759	751	179.41
16	A	462	456	48.18
17	A	411	406	100.19
18	A	291	288	88.36

Atom	x (Å)	y (Å)	z (Å)
N1	1.236	-0.161	-0.020
C2	-0.025	0.534	0.049
O3	-1.220	-0.262	-0.118
H4	1.317	-0.707	-0.882
H5	1.392	-0.782	0.777
H6	-0.059	1.085	1.007
H7	-0.075	1.260	-0.777
H8	-1.320	-0.828	0.670

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4416	2.4603	1.0232	1.0228	2.0706	2.0767	2.7302
C2	1.4416		1.4457	2.0509	2.0663	1.1062	1.1009	1.9794
O3	2.4603	1.4457		2.6869	2.8095	2.1043	2.0156	0.9754
H4	1.0232	2.0509	2.6869		1.6630	2.9453	2.4118	3.0624
H5	1.0228	2.0663	2.8095	1.6630		2.3759	2.9563	2.7139
H6	2.0706	1.1062	2.1043	2.9453	2.3759		1.7933	2.3154
H7	2.0767	1.1009	2.0156	2.4118	2.9563	1.7933		2.8292
H8	2.7302	1.9794	0.9754	3.0624	2.7139	2.3154	2.8292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.882	N1	C2	H6	108.001
N1	C2	H7	108.790	C2	N1	H4	111.504
C2	N1	H5	112.856	C2	O3	H8	108.105
O3	C2	H6	110.381	O3	C2	H7	103.819
H4	N1	H5	108.745	H6	C2	H7	108.681

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.624
2	C	-0.150
3	O	-0.466
4	H	0.305
5	H	0.292
6	H	0.147
7	H	0.165
8	H	0.330

	x	y	z	Total
	0.478	-1.112	1.382	1.837
CHELPG
AIM
ESP

	x	y	z
x	5.078	0.049	-0.056
y	0.049	4.258	-0.032
z	-0.056	-0.032	3.931

<r²>	51.003
(<r²>)^1/2	7.142

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)