%chk=000149732.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149732

0 1
 S   -6.098200     -0.3450000       1.296200    
 O    5.533700       1.677500       1.072200    
 O   -7.365200      0.1340000       1.816600    
 O   -6.022800     -0.9474000     -2.0000000E-02
 N   4.1099999E-02  0.3016000      -1.104600    
 N    3.885400     -0.4221000      0.4004000    
 N   -2.311500      0.7911000      -2.631100    
 N   -4.930600      0.9092000       1.467200    
 C    1.344400      5.6400001E-02 -0.5935000    
 C    1.789400      -1.259700     -0.4331000    
 C    2.171000       1.133000     -0.2565000    
 C   -1.203600      0.4551000     -0.4798000    
 C    3.085100      -1.455500      7.4199997E-02
 C    3.451700      0.8436000      0.2438000    
 C   -2.367000      0.6949000      -1.222400    
 C   0.9800000      -2.360500     -0.7634000    
 C    3.534100      -2.763500      0.2363000    
 C    1.749400       2.465600     -0.4073000    
 C   -3.596300      0.8437000     -0.5806000    
 C    4.279400       1.911200      0.5812000    
 C   -1.290400      0.3668000      0.9155000    
 C    2.732300      -3.859700     -9.1200002E-02
 C   -3.672800      0.7542000      0.8094000    
 C    1.452500      -3.658300     -0.5921000    
 C   -2.519800      0.5157000       1.557300    
 C    2.596100       3.514800     -6.2600002E-02
 C    3.863600       3.236700      0.4327000    
 C   -2.085800       2.071700      -3.268200    
 C   -2.466000     -0.3920000      -3.451700    
 C    3.251200      -5.245100      9.7599998E-02
 C   -5.469300      -1.522300       2.472100    
 C    5.658800       1.554600       2.485400    
 H   2.2800000E-02  0.3681000      -2.117800    
 H  -2.3800001E-02  -2.238600      -1.162200    
 H    4.536500      -2.934600      0.6267000    
 H   0.7666000       2.718500     -0.7964000    
 H   -4.491500       1.042900      -1.165900    
 H  -0.4107000      0.1813000       1.526500    
 H   0.8160000      -4.498600     -0.8546000    
 H   -2.567800      0.4430000       2.640800    
 H    2.268800       4.543100     -0.1813000    
 H    4.527200       4.054200      0.7015000    
 H   -4.860500       1.314700       2.410300    
 H   -1.047900       2.391600      -3.129300    
 H   -2.743000       2.839100      -2.844500    
 H   -2.285000       2.032300      -4.344300    
 H   -2.184700     -0.2058000      -4.493500    
 H   -3.507800     -0.7290000      -3.438700    
 H   -1.834700      -1.209100      -3.085700    
 H    2.434300      -5.961800      0.2345000    
 H    3.838000      -5.548700     -0.7751000    
 H    3.884900      -5.308100      0.9887000    
 H   -5.403700      -1.046400       3.452300    
 H   -6.169500      -2.359700       2.515200    
 H   -4.492800      -1.878500       2.140200    
 H    5.054700      0.7212000       2.857800    
 H    5.359900       2.484400       2.979800    
 H    6.708100       1.356500       2.720900    


%chk=000149732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149732

0 1
S -6.311152 0.070521 1.296739
O 5.275588 2.019334 1.749453
O -7.816807 0.542333 1.711705
O -6.054246 -0.824418 -0.051395
N -0.064703 0.060778 -0.926456
N 3.926195 -0.308969 0.594980
N -2.210508 0.047501 -2.565983
N -5.046240 1.827219 1.035185
C 1.235331 -0.030481 -0.385586
C 1.893492 -1.301132 -0.425261
C 1.938813 1.119228 0.111959
C -1.227285 0.617443 -0.385929
C 3.265839 -1.378282 0.051730
C 3.288055 0.900941 0.644047
C -2.391967 0.581635 -1.239279
C 1.270217 -2.509435 -0.896001
C 3.963750 -2.633785 -0.022735
C 1.413322 2.450702 0.030992
C -3.632140 0.989697 -0.732264
C 4.000899 2.049856 1.190999
C -1.347479 1.094787 0.950568
C 3.355039 -3.786131 -0.518403
C -3.765852 1.438631 0.620261
C 1.978378 -3.705824 -0.944860
C -2.599928 1.471620 1.453146
C 2.158117 3.527548 0.511718
C 3.434991 3.328938 1.109846
C -1.555500 0.976271 -3.531268
C -3.384965 -0.637998 -3.155678
C 4.089679 -5.110057 -0.602109
C -5.647260 -1.023430 2.754493
C 5.864190 0.805552 2.347909
H -0.292340 -0.521903 -1.749716
H 0.216367 -2.501448 -1.196832
H 4.999635 -2.645590 0.331979
H 0.434885 2.624317 -0.422653
H -4.531379 0.970355 -1.352342
H -0.466676 1.119047 1.597554
H 1.482039 -4.616241 -1.302634
H -2.688577 1.802690 2.495830
H 1.758919 4.544637 0.436279
H 4.009619 4.170175 1.508335
H -5.052075 2.211258 2.005479
H -0.660492 1.433490 -3.077638
H -2.242189 1.792296 -3.847653
H -1.244142 0.413292 -4.429109
H -3.046184 -1.258157 -4.004672
H -4.156052 0.069605 -3.534201
H -3.857257 -1.289080 -2.402629
H 3.572786 -5.891914 -0.013756
H 4.139456 -5.472900 -1.646456
H 5.121934 -5.026818 -0.223144
H -5.832580 -0.462642 3.680936
H -6.233467 -1.951732 2.704481
H -4.580088 -1.196012 2.557237
H 6.208589 0.111215 1.568374
H 5.133325 0.284794 2.990777
H 6.704382 1.188974 2.949553


