%chk=000155329.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155329

0 1
 S   0.6050000       2.075000      -2.075200    
 S   -3.455400     -4.5000002E-02 -0.6274000    
 S    4.096400      -2.440900      -1.359300    
 S    1.360400      -1.784000      -2.417100    
 O    3.614900       3.082900      0.3723000    
 O    2.228200      0.8103000       2.094300    
 O   -1.326000       1.752500       2.901400    
 O   -1.007700     -0.3757000       2.127000    
 O    4.565600      4.0700000E-02  0.4596000    
 O  -0.5321000      -2.498100      0.7657000    
 O    1.616600      -2.563700       2.324600    
 O    3.358600      -3.689200       1.360800    
 N   0.7162000       1.768800      0.5598000    
 N    3.168900       1.142900      -1.030100    
 N   -5.986700      -1.045200     -0.6296000    
 N   -5.869300      0.9932000      0.1012000    
 N   -7.247100     -0.7075000     -0.3231000    
 N   -7.169000      0.5401000      0.1238000    
 N   8.2999999E-03  -1.912700      -1.418500    
 C    1.237800       2.638500     -0.4789000    
 C    2.636300       2.123100     -7.4199997E-02
 C    1.902900       1.443000       1.116900    
 C  -0.6048000       1.505400      0.7308000    
 C   -1.514200       1.797800     -0.2294000    
 C   -1.137600       2.343900      -1.604800    
 C   -3.005400       1.611300     -8.3499998E-02
 C  -0.9944000      0.8296000       1.977200    
 C    4.099700      0.1757000     -0.6707000    
 C    4.265500       3.685100     -0.7291000    
 C    4.489600     -0.7343000      -1.810700    
 C   -5.203700     -2.4000001E-03 -0.3604000    
 C    2.398400      -2.301800      -1.117500    
 C    1.745500      -2.561900      2.7500000E-02
 C   -5.690400      -2.354300      -1.153900    
 C   0.2804000      -2.330800     -0.1326000    
 C    2.348600      -3.012200       1.283000    
 H    1.072400       3.701700     -0.2672000    
 H    2.857200       1.170200      -1.997800    
 H   -1.737600       1.861300      -2.383200    
 H   -1.351500       3.417800      -1.638800    
 H   -3.542400       2.367000     -0.6684000    
 H   -3.312800       1.748700      0.9588000    
 H    5.006400       3.007600      -1.163800    
 H    4.797200       4.569400     -0.3658000    
 H    3.552900       4.012500      -1.493000    
 H    4.013500     -0.4538000      -2.754100    
 H    5.571100     -0.6457000      -1.955300    
 H   -1.594500       1.343500       3.751700    
 H   -5.245200      -2.239700      -2.145200    
 H   -4.997800      -2.853900     -0.4722000    
 H   -6.613800      -2.934700      -1.230300    
 H  -0.9259000      -1.694200      -1.746900    
 H    1.990500      -2.845600       3.186600    


%chk=000155329-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155329

0 1
S 0.231250 2.246028 -1.973095
S -3.604096 0.059518 0.951441
S 3.513947 -2.193893 -0.599133
S 1.182952 -1.500844 -2.603902
O 3.510611 3.344762 0.252936
O 2.114148 1.135153 2.215223
O -0.097993 2.683692 3.388011
O -2.129125 1.593507 3.105853
O 5.185677 0.962004 -0.259650
O -1.727541 -3.045138 -0.488230
O -0.083491 -3.781464 1.720344
O 2.206917 -3.799579 1.336611
N 0.576709 2.421597 0.811345
N 2.956660 1.281101 -0.958097
N -4.362700 -1.843339 -0.956849
N -3.341057 -0.091827 -1.873175
N -4.251104 -2.118949 -2.329607
N -3.637869 -1.048988 -2.871393
N -0.476842 -1.985220 -2.138334
C 1.106391 2.965030 -0.456288
C 2.534977 2.366308 -0.063071
C 1.810646 1.842986 1.251792
C -0.775844 2.215613 1.153859
C -1.762215 2.155206 0.185837
C -1.531293 2.376823 -1.295286
C -3.213810 1.904705 0.517752
C -1.090341 2.099403 2.610105
C 4.161971 0.578004 -0.886563
C 4.230852 3.929056 -0.897187
C 4.175395 -0.739837 -1.674870
C -3.790098 -0.620101 -0.698675
C 1.776914 -2.221115 -1.045005
C 0.752711 -2.808969 -0.312311
C -4.826235 -2.872621 -0.023574
C -0.600650 -2.668224 -0.916703
C 1.042729 -3.495757 0.955359
H 1.086585 4.064050 -0.503902
H 2.188074 0.865710 -1.506187
H -2.103677 1.605167 -1.851943
H -1.919586 3.372235 -1.581984
H -3.871822 2.157601 -0.327760
H -3.546912 2.411363 1.434837
H 4.959955 3.202900 -1.294287
H 4.760549 4.798165 -0.480491
H 3.532044 4.257298 -1.692564
H 3.636980 -0.700478 -2.637695
H 5.222263 -1.021199 -1.861047
H -0.290377 2.530407 4.351747
H -3.947089 -3.372351 0.415901
H -5.443813 -2.412236 0.765243
H -5.425710 -3.600552 -0.588683
H -1.282143 -1.708374 -2.713198
H 0.215224 -4.242138 2.551542


