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	hartrees
Energy at 0K	-171.087084
Energy at 298.15K	-171.093629
HF Energy	-171.087084
Nuclear repulsion energy	82.326465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3840	3693	18.72
2	A	3605	3466	2.47
3	A	3519	3384	0.85
4	A	3100	2981	27.66
5	A	3025	2909	58.19
6	A	1661	1598	25.78
7	A	1500	1442	0.06
8	A	1418	1363	33.72
9	A	1384	1331	1.38
10	A	1368	1315	5.29
11	A	1163	1118	32.17
12	A	1106	1064	27.10
13	A	1011	972	227.43
14	A	907	872	3.60
15	A	809	778	157.50
16	A	480	461	45.86
17	A	398	383	87.60
18	A	276	266	68.55

Atom	x (Å)	y (Å)	z (Å)
N1	1.225	-0.158	-0.020
C2	-0.030	0.531	0.047
O3	-1.201	-0.262	-0.115
H4	1.290	-0.707	-0.868
H5	1.359	-0.780	0.767
H6	-0.066	1.079	0.995
H7	-0.076	1.256	-0.766
H8	-1.290	-0.832	0.653

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4336	2.4297	1.0121	1.0119	2.0560	2.0612	2.6892
C2	1.4336		1.4234	2.0286	2.0415	1.0952	1.0904	1.9525
O3	2.4297	1.4234		2.6398	2.7567	2.0785	1.9984	0.9607
H4	1.0121	2.0286	2.6398		1.6375	2.9155	2.3943	2.9974
H5	1.0119	2.0415	2.7567	1.6375		2.3535	2.9249	2.6522
H6	2.0560	1.0952	2.0785	2.9155	2.3535		1.7697	2.2953
H7	2.0612	1.0904	1.9984	2.3943	2.9249	1.7697		2.8013
H8	2.6892	1.9525	0.9607	2.9974	2.6522	2.2953	2.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.519	N1	C2	H6	108.041
N1	C2	H7	108.746	C2	N1	H4	110.907
C2	N1	H5	112.034	C2	O3	H8	108.400
O3	C2	H6	110.552	O3	C2	H7	104.531
H4	N1	H5	108.007	H6	C2	H7	108.139

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/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	-0.311
2	C	0.080
3	O	-0.337
4	H	0.132
5	H	0.120
6	H	0.057
7	H	0.083
8	H	0.177

	x	y	z	Total
	0.356	-1.074	1.225	1.668
CHELPG
AIM
ESP

	x	y	z
x	4.222	-0.062	-0.088
y	-0.062	3.880	-0.124
z	-0.088	-0.124	3.773

<r²>	49.523
(<r²>)^1/2	7.037

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)