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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	3719	14.45
2	A	3514	3514	3.74
3	A	3429	3429	1.59
4	A	3027	3027	22.39
5	A	2952	2952	49.29
6	A	1610	1610	26.66
7	A	1448	1448	0.20
8	A	1369	1369	27.07
9	A	1337	1337	2.44
10	A	1317	1317	3.47
11	A	1124	1124	34.39
12	A	1069	1069	25.34
13	A	939	939	225.53
14	A	877	877	3.30
15	A	760	760	156.42
16	A	461	461	46.23
17	A	393	393	79.44
18	A	269	269	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: PBEPBEultrafine/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: PBEPBEultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)