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	hartrees
Energy at 0K	-171.113226
Energy at 298.15K	-171.119731
HF Energy	-171.113226
Nuclear repulsion energy	81.646334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3639	14.62
2	A	3555	3439	1.33
3	A	3467	3354	1.89
4	A	3119	3017	26.88
5	A	3038	2939	54.78
6	A	1654	1600	23.63
7	A	1492	1443	0.11
8	A	1404	1359	33.50
9	A	1374	1329	2.41
10	A	1346	1302	2.87
11	A	1147	1109	37.61
12	A	1089	1054	25.12
13	A	967	935	236.17
14	A	897	867	3.02
15	A	800	774	136.11
16	A	462	447	42.94
17	A	394	381	82.13
18	A	274	265	66.63

Atom	x (Å)	y (Å)	z (Å)
N1	1.234	-0.161	-0.020
C2	-0.025	0.539	0.049
O3	-1.212	-0.263	-0.117
H4	1.297	-0.713	-0.874
H5	1.362	-0.793	0.769
H6	-0.065	1.082	1.004
H7	-0.075	1.258	-0.776
H8	-1.307	-0.832	0.661

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4424	2.4507	1.0193	1.0192	2.0693	2.0735	2.7149
C2	1.4424		1.4420	2.0413	2.0533	1.1003	1.0956	1.9738
O3	2.4507	1.4420		2.6590	2.7733	2.0941	2.0104	0.9687
H4	1.0193	2.0413	2.6590		1.6468	2.9338	2.4036	3.0246
H5	1.0192	2.0533	2.7733	1.6468		2.3677	2.9427	2.6707
H6	2.0693	1.1003	2.0941	2.9338	2.3677		1.7895	2.3076
H7	2.0735	1.0956	2.0104	2.4036	2.9427	1.7895		2.8198
H8	2.7149	1.9738	0.9687	3.0246	2.6707	2.3076	2.8198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.343	N1	C2	H6	108.187
N1	C2	H7	108.796	C2	N1	H4	110.860
C2	N1	H5	111.901	C2	O3	H8	108.323
O3	C2	H6	110.187	O3	C2	H7	103.954
H4	N1	H5	107.768	H6	C2	H7	109.155

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: TPSSh/aug-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	-0.159
2	C	0.998
3	O	-0.452
4	H	-0.022
5	H	-0.038
6	H	-0.193
7	H	-0.241
8	H	0.106

	x	y	z	Total
	0.392	-0.949	1.222	1.596
CHELPG
AIM
ESP

	x	y	z
x	5.273	0.068	-0.068
y	0.068	4.606	-0.048
z	-0.068	-0.048	4.284

<r²>	50.492
(<r²>)^1/2	7.106

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)