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	hartrees
Energy at 0K	-171.025315
Energy at 298.15K	-171.031940
HF Energy	-171.025315
Nuclear repulsion energy	82.362744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3809	3612	11.19
2	A	3622	3435	0.95
3	A	3529	3347	0.47
4	A	3158	2995	33.55
5	A	3066	2908	68.06
6	A	1717	1628	27.03
7	A	1536	1457	0.10
8	A	1452	1377	47.40
9	A	1414	1341	1.51
10	A	1403	1330	3.34
11	A	1187	1125	29.42
12	A	1134	1075	27.59
13	A	1054	999	240.48
14	A	922	874	3.32
15	A	861	816	170.66
16	A	482	457	51.86
17	A	429	407	119.91
18	A	309	293	73.13

Atom	x (Å)	y (Å)	z (Å)
N1	1.226	-0.156	-0.020
C2	-0.033	0.531	0.048
O3	-1.197	-0.262	-0.116
H4	1.273	-0.710	-0.869
H5	1.343	-0.792	0.763
H6	-0.064	1.082	0.997
H7	-0.076	1.256	-0.767
H8	-1.281	-0.829	0.661

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4356	2.4277	1.0152	1.0152	2.0570	2.0610	2.6836
C2	1.4356		1.4185	2.0212	2.0379	1.0977	1.0917	1.9449
O3	2.4277	1.4185		2.6207	2.7399	2.0810	1.9963	0.9657
H4	1.0152	2.0212	2.6207		1.6355	2.9122	2.3867	2.9792
H5	1.0152	2.0379	2.7399	1.6355		2.3551	2.9236	2.6262
H6	2.0570	1.0977	2.0810	2.9122	2.3551		1.7720	2.2904
H7	2.0610	1.0917	1.9963	2.3867	2.9236	1.7720		2.7995
H8	2.6836	1.9449	0.9657	2.9792	2.6262	2.2904	2.7995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.553	N1	C2	H6	107.835
N1	C2	H7	108.505	C2	N1	H4	109.936
C2	N1	H5	111.352	C2	O3	H8	107.808
O3	C2	H6	110.946	O3	C2	H7	104.612
H4	N1	H5	107.322	H6	C2	H7	108.063

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: mPW1PW91/6-31G*

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	-0.737
2	C	-0.013
3	O	-0.623
4	H	0.324
5	H	0.311
6	H	0.159
7	H	0.187
8	H	0.392

	x	y	z	Total
	0.216	-1.282	1.318	1.852
CHELPG
AIM
ESP

	x	y	z
x	3.348	-0.120	-0.086
y	-0.120	3.173	-0.180
z	-0.086	-0.180	3.273

<r²>	49.300
(<r²>)^1/2	7.021

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)