%chk=000201359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201359

0 1
S 0.656409 1.682518 1.188987
P 1.743857 0.525694 -0.178001
O 2.084739 1.517437 -1.432342
O 3.151646 0.423786 0.670097
O -3.560577 -1.102069 0.761552
O 1.081133 -0.718896 -0.616760
O -3.764921 0.970548 -0.127683
C -1.054589 1.567000 0.523549
C -1.593907 0.157640 0.676154
C 2.804526 2.761946 -1.219736
C 3.580567 -0.910211 1.071491
C -3.064947 0.117807 0.366996
C 4.283146 2.515649 -0.996210
C 2.726292 -1.457545 2.198003
C -4.969685 -1.393513 0.493846
C -5.150594 -1.750593 -0.966317
H -1.646877 2.297729 1.116019
H -1.102995 1.914132 -0.528593
H -1.066300 -0.569040 -0.004599
H -1.410259 -0.253979 1.694811
H 2.609513 3.263931 -2.192268
H 2.338241 3.349153 -0.406729
H 3.605177 -1.580225 0.190734
H 4.617166 -0.690301 1.402597
H 4.494071 2.089255 -0.002083
H 4.685856 1.808502 -1.734799
H 4.857585 3.445626 -1.080798
H 2.487050 -0.681217 2.939178
H 1.773332 -1.876837 1.841690
H 3.245619 -2.264142 2.730840
H -5.572757 -0.519423 0.797092
H -5.136409 -2.246488 1.176774
H -4.995682 -0.873455 -1.612848
H -4.431505 -2.516686 -1.285666
H -6.158222 -2.132935 -1.165582


%chk=000201359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201359

0 1
S 0.725922 1.529122 1.528515
P 1.747792 0.331504 -0.158913
O 2.016877 1.437663 -1.449455
O 3.335642 0.091893 0.494319
O -3.776651 -1.043657 0.715721
O 0.979245 -0.974233 -0.643685
O -3.643292 1.071211 -0.267250
C -1.037979 1.502712 0.800167
C -1.696084 0.121173 0.929040
C 2.608329 2.792299 -1.225248
C 3.673638 -1.247893 1.076988
C -3.116204 0.139559 0.386878
C 4.137058 2.754308 -1.249433
C 3.241068 -1.350789 2.540759
C -5.167529 -1.205563 0.183749
C -5.138008 -1.785564 -1.232790
H -1.572814 2.274433 1.378127
H -0.989022 1.835758 -0.248043
H -1.113372 -0.633134 0.363454
H -1.715749 -0.220919 1.979075
H 2.199479 3.377634 -2.065793
H 2.215911 3.204434 -0.274502
H 3.212957 -2.036558 0.453914
H 4.770026 -1.290351 0.970225
H 4.532873 2.156901 -0.411485
H 4.499528 2.317184 -2.195383
H 4.530818 3.785548 -1.170466
H 3.669595 -0.525588 3.134836
H 2.142259 -1.321173 2.641325
H 3.600371 -2.307005 2.965605
H -5.668596 -0.221780 0.206266
H -5.640114 -1.892265 0.904004
H -4.669161 -1.077857 -1.936776
H -4.578689 -2.736524 -1.256898
H -6.170426 -1.981685 -1.577450


