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	hartrees
Energy at 0K	-170.944903
Energy at 298.15K	-170.951415
HF Energy	-170.944903
Nuclear repulsion energy	81.533657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3646	9.22
2	A	3518	3478	1.88
3	A	3428	3389	0.63
4	A	3040	3006	25.22
5	A	2955	2922	57.82
6	A	1622	1604	30.30
7	A	1444	1428	0.27
8	A	1380	1365	32.54
9	A	1343	1328	2.13
10	A	1320	1306	2.52
11	A	1131	1118	32.15
12	A	1071	1059	27.39
13	A	929	919	234.29
14	A	885	875	3.57
15	A	759	750	175.89
16	A	465	459	55.82
17	A	418	414	93.80
18	A	293	289	74.33

Atom	x (Å)	y (Å)	z (Å)
N1	1.233	-0.161	-0.023
C2	-0.024	0.533	0.048
O3	-1.220	-0.260	-0.115
H4	1.310	-0.711	-0.880
H5	1.390	-0.776	0.777
H6	-0.054	1.084	1.005
H7	-0.076	1.260	-0.773
H8	-1.292	-0.846	0.659

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4383	2.4570	1.0208	1.0205	2.0646	2.0729	2.7038
C2	1.4383		1.4445	2.0472	2.0608	1.1040	1.0983	1.9706
O3	2.4570	1.4445		2.6818	2.8065	2.1030	2.0141	0.9732
H4	1.0208	2.0472	2.6818		1.6593	2.9383	2.4120	3.0265
H5	1.0205	2.0608	2.8065	1.6593		2.3661	2.9492	2.6863
H6	2.0646	1.1040	2.1030	2.9383	2.3661		1.7868	2.3195
H7	2.0729	1.0983	2.0141	2.4120	2.9492	1.7868		2.8229
H8	2.7038	1.9706	0.9732	3.0265	2.6863	2.3195	2.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.917	N1	C2	H6	107.877
N1	C2	H7	108.867	C2	N1	H4	111.580
C2	N1	H5	112.778	C2	O3	H8	107.579
O3	C2	H6	110.502	O3	C2	H7	103.922
H4	N1	H5	108.749	H6	C2	H7	108.453

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/TZVP

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	-0.392
2	C	-0.160
3	O	-0.346
4	H	0.202
5	H	0.196
6	H	0.123
7	H	0.139
8	H	0.236

	x	y	z	Total
	0.528	-1.157	1.306	1.822
CHELPG
AIM
ESP

	x	y	z
x	4.510	-0.036	-0.099
y	-0.036	4.004	-0.134
z	-0.099	-0.134	3.893

<r²>	50.635
(<r²>)^1/2	7.116

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)