%chk=000288598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288598

0 1
S 1.375067 -0.887738 -0.222376
O -6.615910 0.547885 -0.009180
O -2.459097 1.454838 1.917498
N -1.189890 -1.617059 -0.392979
N -0.727397 0.347062 0.903099
C -3.050866 -0.470475 0.617112
C -4.503422 -0.268163 0.910525
C -2.582080 -1.500905 -0.145859
C -2.125499 0.531587 1.212837
C -5.206553 0.449616 -0.250465
C -0.332484 -0.648828 0.163882
C -3.421937 -2.555576 -0.782666
C 2.186198 0.501842 0.639366
C 3.631986 0.318815 0.326759
C 4.189276 0.921656 -0.812789
C 4.444160 -0.454884 1.171944
C 5.545919 0.751956 -1.100106
C 5.800010 -0.620308 0.878489
C 6.352891 -0.018272 -0.256455
H -4.619074 0.347007 1.836962
H -5.004911 -1.228619 1.138419
H -0.834862 -2.381909 -0.964128
H -5.041496 -0.054362 -1.217637
H -4.897970 1.511682 -0.324135
H -2.966875 -3.555870 -0.740318
H -3.620172 -2.323990 -1.841738
H -4.405262 -2.643424 -0.289794
H 1.957313 0.469846 1.726223
H 1.772699 1.470780 0.286009
H 3.565790 1.523013 -1.473455
H 4.019227 -0.926003 2.057554
H 5.975421 1.222392 -1.983622
H 6.427561 -1.219372 1.537025
H -7.011822 -0.333914 0.114641
H 7.409961 -0.147807 -0.482043


%chk=000288598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288598

0 1
S 1.385931 -1.372450 -0.097186
O -6.536226 1.051125 -0.088055
O -2.414459 1.541791 1.664893
N -1.283596 -1.839504 -0.294158
N -0.697584 0.155437 0.870681
C -3.087256 -0.511054 0.580817
C -4.541606 -0.168135 0.823136
C -2.665639 -1.631771 -0.113442
C -2.079666 0.471100 1.082494
C -5.148800 0.648697 -0.347175
C -0.360433 -0.933140 0.220638
C -3.546438 -2.686548 -0.739516
C 2.233194 0.085666 0.853200
C 3.674034 0.175678 0.428315
C 4.049481 0.959603 -0.694131
C 4.682576 -0.513586 1.151299
C 5.403395 1.054754 -1.082954
C 6.037418 -0.420916 0.763227
C 6.401396 0.363748 -0.355725
H -4.602945 0.457608 1.730768
H -5.151197 -1.078229 0.994409
H -0.961149 -2.669774 -0.796551
H -5.073292 0.076153 -1.297824
H -4.601323 1.597674 -0.460264
H -3.209143 -3.705091 -0.469044
H -3.535236 -2.609766 -1.843721
H -4.589959 -2.580972 -0.410049
H 2.102948 -0.143457 1.921202
H 1.621144 0.964840 0.602689
H 3.276852 1.495580 -1.257879
H 4.402693 -1.118290 2.022652
H 5.681111 1.668006 -1.947382
H 6.806510 -0.954410 1.332632
H -7.089224 0.242725 0.056756
H 7.452390 0.439406 -0.656152


