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	hartrees
Energy at 0K	-170.947774
Energy at 298.15K	-170.954227
HF Energy	-170.947774
Nuclear repulsion energy	81.639710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3688	14.45
2	A	3514	3485	3.74
3	A	3429	3401	1.59
4	A	3027	3002	22.39
5	A	2952	2928	49.29
6	A	1610	1597	26.66
7	A	1448	1436	0.20
8	A	1369	1357	27.07
9	A	1337	1326	2.44
10	A	1317	1306	3.47
11	A	1124	1115	34.39
12	A	1069	1060	25.34
13	A	939	931	225.53
14	A	877	870	3.30
15	A	760	754	156.42
16	A	461	458	46.23
17	A	393	390	79.44
18	A	269	267	68.52

Atom	x (Å)	y (Å)	z (Å)
N1	1.234	-0.160	-0.021
C2	-0.026	0.534	0.048
O3	-1.215	-0.263	-0.117
H4	1.305	-0.714	-0.875
H5	1.379	-0.781	0.776
H6	-0.063	1.084	1.003
H7	-0.076	1.259	-0.775
H8	-1.309	-0.829	0.666

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4393	2.4521	1.0208	1.0203	2.0675	2.0733	2.7173
C2	1.4393		1.4402	2.0443	2.0568	1.1026	1.0979	1.9711
O3	2.4521	1.4402		2.6695	2.7912	2.0957	2.0111	0.9705
H4	1.0208	2.0443	2.6695		1.6538	2.9375	2.4112	3.0364
H5	1.0203	2.0568	2.7912	1.6538		2.3675	2.9468	2.6906
H6	2.0675	1.1026	2.0957	2.9375	2.3675		1.7859	2.3074
H7	2.0733	1.0979	2.0111	2.4112	2.9468	1.7859		2.8204
H8	2.7173	1.9711	0.9705	3.0364	2.6906	2.3074	2.8204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.765	N1	C2	H6	108.119
N1	C2	H7	108.863	C2	N1	H4	111.266
C2	N1	H5	112.367	C2	O3	H8	108.114
O3	C2	H6	110.300	O3	C2	H7	103.995
H4	N1	H5	108.241	H6	C2	H7	108.501

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	-0.773
2	C	0.590
3	O	-0.561
4	H	0.184
5	H	0.177
6	H	0.096
7	H	0.093
8	H	0.194

	x	y	z	Total
	0.439	-0.988	1.235	1.641
CHELPG
AIM
ESP

	x	y	z
x	5.448	0.047	-0.076
y	0.047	4.656	-0.036
z	-0.076	-0.036	4.283

<r²>	50.640
(<r²>)^1/2	7.116

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)