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	hartrees
Energy at 0K	-170.952929
Energy at 298.15K	-170.959387
HF Energy	-170.952929
Nuclear repulsion energy	81.561776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3670	14.22
2	A	3506	3483	3.51
3	A	3422	3399	1.77
4	A	3029	3009	21.48
5	A	2955	2936	48.49
6	A	1610	1599	24.57
7	A	1445	1435	0.23
8	A	1365	1356	27.48
9	A	1338	1329	2.34
10	A	1315	1307	2.86
11	A	1122	1115	33.94
12	A	1069	1062	25.73
13	A	932	926	226.05
14	A	876	870	4.15
15	A	762	757	152.07
16	A	461	458	43.37
17	A	393	391	75.86
18	A	270	269	66.25

Atom	x (Å)	y (Å)	z (Å)
N1	1.235	-0.161	-0.020
C2	-0.024	0.534	0.048
O3	-1.217	-0.263	-0.118
H4	1.309	-0.710	-0.877
H5	1.376	-0.786	0.774
H6	-0.062	1.082	1.003
H7	-0.073	1.259	-0.774
H8	-1.319	-0.819	0.671

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4396	2.4558	1.0204	1.0201	2.0677	2.0729	2.7271
C2	1.4396		1.4435	2.0443	2.0562	1.1024	1.0978	1.9740
O3	2.4558	1.4435		2.6749	2.7915	2.0975	2.0133	0.9716
H4	1.0204	2.0443	2.6749		1.6539	2.9372	2.4079	3.0526
H5	1.0201	2.0562	2.7915	1.6539		2.3686	2.9459	2.6978
H6	2.0677	1.1024	2.0975	2.9372	2.3686		1.7866	2.3036
H7	2.0729	1.0978	2.0133	2.4079	2.9459	1.7866		2.8219
H8	2.7271	1.9740	0.9716	3.0526	2.6978	2.3036	2.8219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.819	N1	C2	H6	108.131
N1	C2	H7	108.815	C2	N1	H4	111.265
C2	N1	H5	112.313	C2	O3	H8	108.046
O3	C2	H6	110.231	O3	C2	H7	103.961
H4	N1	H5	108.296	H6	C2	H7	108.591

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	-0.317
2	C	-0.038
3	O	-0.426
4	H	0.068
5	H	0.060
6	H	0.240
7	H	0.287
8	H	0.127

	x	y	z	Total
	0.435	-0.951	1.215	1.603
CHELPG
AIM
ESP

	x	y	z
x	5.628	0.070	-0.090
y	0.070	4.862	-0.039
z	-0.090	-0.039	4.485

<r²>	50.736
(<r²>)^1/2	7.123

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)