%chk=000151502.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151502

0 1
 S   -2.458600       2.233700     -0.7611000    
 O   0.1791000      -1.691300      0.3050000    
 O   -3.308700       2.299500      0.4123000    
 O   -2.798300       2.989300      -1.951700    
 O   0.1680000     -0.5579000      -1.737800    
 N   -2.216700      0.6081000      -1.192600    
 N   -7.373000      -2.848000       1.123600    
 C   -1.701300     -0.3527000     -0.1910000    
 C   -2.713100      -1.483000      2.0199999E-02
 C   -4.105700      -1.007900      0.4563000    
 C   -5.073800      -2.186600      0.5919000    
 C  -0.3526000     -0.8456000     -0.6675000    
 C   -6.469600      -1.711100      0.9914000    
 C  -0.8304000       2.729600     -0.2833000    
 C    1.431600      -2.203100     -4.1099999E-02
 C  -0.4194000       2.590200       1.042400    
 C   4.2800002E-02   3.261300      -1.232200    
 C    2.616100      -1.531900      0.3036000    
 C    3.861700      -2.090200     -7.0299998E-02
 C    1.738200       3.514400      0.4704000    
 C   0.8648000       2.982600       1.419200    
 C    1.327100       3.653600     -0.8553000    
 C    1.474500      -3.407300     -0.7446000    
 C    2.591800     -0.3191000       1.011400    
 C    3.886100      -3.303200     -0.7777000    
 C    2.699400      -3.956400      -1.112000    
 C    5.046200      -1.419300      0.2745000    
 C    3.112000       3.933000      0.8728000    
 C    3.778600      0.3341000       1.345300    
 C    5.003400     -0.2149000      0.9776000    
 H   -1.548900      0.1457000      0.7696000    
 H   -2.808100      -2.055300     -0.9126000    
 H   -2.327300      -2.186900      0.7685000    
 H   -4.028700     -0.4771000       1.412500    
 H   -4.511500     -0.3033000     -0.2784000    
 H   -4.690400      -2.889300       1.342400    
 H   -5.125600      -2.728300     -0.3611000    
 H   -2.184100      0.3274000      -2.180000    
 H   -6.864600      -1.019400      0.2392000    
 H   -6.426300      -1.176500       1.946300    
 H   -1.083500       2.186700       1.801200    
 H  -0.2534000       3.371400      -2.271400    
 H   -8.310400      -2.511300       1.339500    
 H   -7.443200      -3.336500      0.2318000    
 H    1.170600       2.868900       2.455800    
 H    2.001100       4.064700      -1.602200    
 H   0.5547000      -3.922500      -1.008200    
 H    1.653000      0.1257000       1.328900    
 H    4.832200      -3.750800      -1.075200    
 H    2.732300      -4.893900      -1.659300    
 H    6.015000      -1.830500     -1.6000000E-03
 H    3.244700       5.005800      0.6979000    
 H    3.303300       3.745300       1.934500    
 H    3.862400       3.384200      0.2945000    
 H    3.749400       1.259600       1.910500    
 H    5.927000      0.2917000       1.242100    


%chk=000151502-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151502

0 1
S -2.259626 2.622943 -0.096566
O 0.165017 -1.022048 0.161595
O -2.363144 2.419308 1.513854
O -3.158840 3.678852 -0.936687
O -0.448102 -0.324468 -2.008033
N -2.741359 0.954684 -0.784515
N -7.369647 -3.565647 1.076313
C -2.068792 -0.192064 -0.146715
C -2.989219 -1.447887 -0.251285
C -4.271428 -1.302986 0.593233
C -5.219884 -2.508547 0.416683
C -0.711745 -0.495493 -0.799060
C -6.489142 -2.396759 1.286073
C -0.437184 2.951715 -0.497598
C 1.506807 -1.442544 -0.108034
C 0.531065 2.536432 0.431486
C -0.126983 3.601996 -1.701785
C 2.378310 -1.365554 1.032672
C 3.744752 -1.818740 0.869948
C 2.258999 3.402642 -1.101461
C 1.886460 2.765756 0.113102
C 1.237278 3.825767 -1.992306
C 1.934130 -1.933030 -1.342240
C 1.950934 -0.863800 2.305687
C 4.173600 -2.322516 -0.402804
C 3.286775 -2.376508 -1.478592
C 4.632863 -1.747892 1.994321
C 3.723010 3.614372 -1.438544
C 2.843363 -0.807465 3.379237
C 4.194876 -1.252024 3.223956
H -1.926423 0.046977 0.923069
H -3.246613 -1.615671 -1.315825
H -2.409374 -2.328897 0.089570
H -3.994067 -1.203013 1.662777
H -4.784332 -0.365049 0.309129
H -4.706486 -3.455145 0.675316
H -5.516738 -2.589226 -0.651115
H -2.622614 0.988574 -1.814734
H -6.980633 -1.414422 1.076256
H -6.192556 -2.381350 2.352754
H 0.234215 2.075943 1.379131
H -0.921744 3.942361 -2.373568
H -8.133988 -3.646240 1.754235
H -7.708861 -3.654733 0.112383
H 2.662109 2.443770 0.817661
H 1.509638 4.335603 -2.923281
H 1.255578 -1.967616 -2.195240
H 0.913476 -0.538481 2.423481
H 5.208105 -2.665656 -0.517222
H 3.617531 -2.762261 -2.448465
H 5.666212 -2.092940 1.870793
H 3.852035 4.340832 -2.258532
H 4.290123 3.979188 -0.563594
H 4.192344 2.663897 -1.757100
H 2.507871 -0.425211 4.349379
H 4.881950 -1.204330 4.075706


