%chk=000286912.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286912

0 1
S 0.657701 1.349663 0.357288
O -0.161444 0.281271 -0.675134
O 0.333572 1.116633 1.731591
O 0.451843 2.657988 -0.206869
O 2.522615 -2.486190 1.229525
O 0.813101 -1.157208 1.064747
N 1.986898 -1.440922 0.911259
C 2.298994 0.863768 -0.031755
C -4.254231 -0.392311 -0.375006
C -5.734582 -0.652711 -0.291332
C -1.530338 0.104166 -0.520507
C 2.837649 -0.394670 0.262505
C -3.686638 0.075100 -1.571510
C -3.436802 -0.604850 0.748460
C -2.317217 0.331739 -1.656156
C -2.065058 -0.361999 0.686606
C 3.109115 1.807244 -0.662626
C 4.161042 -0.715905 -0.045443
C -6.486384 0.595890 0.169406
C 4.442019 1.500071 -0.982337
C 4.966369 0.245982 -0.672754
H -6.125184 -0.986463 -1.274544
H -5.939802 -1.493455 0.403181
H -4.318242 0.245324 -2.442319
H -3.874886 -0.963399 1.679642
H -1.859948 0.694119 -2.573702
H -1.417163 -0.531827 1.553075
H 2.705961 2.800016 -0.916615
H 4.559097 -1.707471 0.201036
H -6.145326 0.925900 1.158447
H -7.563903 0.410749 0.233187
H -6.331333 1.434133 -0.520641
H 5.064151 2.249989 -1.475922
H 6.003254 0.004338 -0.917881


%chk=000286912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286912

0 1
S 0.674091 1.580985 -0.003190
O -0.307108 0.097360 -1.111294
O 0.161510 1.765854 1.528768
O 0.730997 2.925427 -0.926027
O 2.697829 -2.233240 1.866604
O 0.865152 -0.980099 1.352907
N 2.125432 -1.229762 1.291906
C 2.481960 0.872878 -0.108919
C -4.449043 -0.419937 -0.534668
C -5.942242 -0.593002 -0.323250
C -1.649548 -0.025631 -0.875794
C 2.975847 -0.302704 0.498141
C -3.956564 0.435395 -1.563699
C -3.513499 -1.063864 0.325765
C -2.579568 0.648936 -1.729285
C -2.131445 -0.868491 0.175498
C 3.331314 1.688910 -0.875040
C 4.337712 -0.654196 0.348749
C -6.518011 0.477480 0.647668
C 4.691726 1.334972 -1.026219
C 5.193481 0.165757 -0.412347
H -6.472689 -0.519896 -1.291514
H -6.152081 -1.598383 0.087896
H -4.669045 0.933271 -2.232252
H -3.884546 -1.719614 1.122387
H -2.187010 1.303584 -2.514229
H -1.403483 -1.346045 0.837736
H 2.916965 2.590146 -1.340398
H 4.689016 -1.569386 0.833077
H -6.032004 0.415136 1.637580
H -7.604594 0.331151 0.784973
H -6.352567 1.496769 0.255333
H 5.350737 1.974679 -1.621662
H 6.246180 -0.109738 -0.528298


