%chk=000104082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104082

0 1
 S    1.906900      0.6000000       1.003400    
 O   0.9733000      8.2400002E-02 -0.2342000    
 O    1.745900     -0.3020000       2.130800    
 O    1.707800       2.033100       1.145900    
 O    7.392300      0.1210000     -0.9144000    
 N    6.272100       2.599900     -0.5804000    
 N    6.804200       3.522500     -0.7903000    
 C   -8.902000      0.1616000      1.8500000E-02
 C   -7.411100      0.1490000     -1.9900000E-02
 C    3.552200      0.3667000      0.4309000    
 C    4.125100     -0.9041000      0.2600000    
 C   -4.621900      0.1257000     -9.0700001E-02
 C    5.457500      -1.005500     -0.2064000    
 C   -6.740400     -0.8162000     -0.7711000    
 C   -6.687300       1.102800      0.6960000    
 C   -9.486100      -1.124700      0.6331000    
 C   -9.524900      0.4071000      -1.368800    
 C   -3.176000      0.1144000     -0.1276000    
 C   -5.346100     -0.8279000     -0.8064000    
 C   -5.292900       1.091100      0.6605000    
 C    4.282300       1.520900      0.1462000    
 C    6.177600      0.1669000     -0.4880000    
 C    3.404900      -2.076300      0.5415000    
 C    5.592600       1.421200     -0.3123000    
 C  -0.4001000      9.3000002E-02 -0.1989000    
 C    6.030400      -2.276200     -0.3773000    
 C   -2.511100     -0.3548000      -1.260400    
 C   -2.446500      0.5729000      0.9694000    
 C   -1.116700     -0.3656000      -1.296200    
 C   -1.052200      0.5621000      0.9337000    
 C    3.990000      -3.330700      0.3659000    
 C    5.300200      -3.430400     -9.2699997E-02
 H   -9.233400      0.9903000      0.6592000    
 H   -7.284400      -1.572100      -1.330900    
 H   -7.194500       1.865700       1.280700    
 H   -9.273800      -2.005700      1.7800000E-02
 H   -10.57380      -1.042400      0.7333000    
 H   -9.069000      -1.303400       1.630400    
 H   -9.136300       1.330800      -1.811700    
 H   -10.61300      0.5043000      -1.289100    
 H   -9.313400     -0.4129000      -2.063600    
 H   -4.867500      -1.616800      -1.380100    
 H   -4.772900       1.871900       1.208600    
 H    3.857600       2.513400      0.2676000    
 H    2.367900      -2.088000      0.8527000    
 H    7.049300      -2.412900     -0.7332000    
 H   -3.036000     -0.6926000      -2.149600    
 H   -2.921000      0.9178000       1.884100    
 H  -0.6013000     -0.7254000      -2.182100    
 H  -0.5449000      0.9231000       1.820100    
 H    3.419200      -4.230500      0.5761000    
 H    5.753600      -4.407600     -0.2316000    


%chk=000104082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104082

0 1
S 2.082123 1.294657 0.483076
O 0.981781 -0.117863 -0.609156
O 1.750187 1.084727 2.069038
O 1.960207 2.790854 -0.159366
O 7.534216 -0.671706 -1.287443
N 6.465778 1.700376 -2.197942
N 7.241143 2.174731 -2.941314
C -9.107832 -0.156620 0.204995
C -7.583002 -0.132175 0.089790
C 3.782958 0.625553 0.028614
C 4.287046 -0.626867 0.566454
C -4.708044 -0.093652 -0.116484
C 5.578614 -1.072088 0.107096
C -6.937925 0.010433 -1.168339
C -6.761209 -0.254026 1.239493
C -9.715465 -1.372040 -0.546763
C -9.740053 1.171262 -0.292369
C -3.228085 -0.075802 -0.224969
C -5.535117 0.031554 -1.270684
C -5.355602 -0.237877 1.142748
C 4.454887 1.404524 -0.882797
C 6.392407 -0.301525 -0.868423
C 3.584235 -1.425627 1.513929
C 5.750575 0.974649 -1.326986
C -0.376593 -0.062833 -0.451006
C 6.119437 -2.291551 0.593238
C -2.575949 0.638848 -1.277862
C -2.411653 -0.770822 0.719997
C -1.179209 0.661220 -1.386497
C -1.013974 -0.762879 0.620099
C 4.139726 -2.629461 1.980359
C 5.408460 -3.069684 1.520818
H -9.360244 -0.266371 1.278981
H -7.539235 0.096716 -2.081140
H -7.231590 -0.354288 2.225347
H -9.509055 -1.312573 -1.631611
H -10.812754 -1.399098 -0.413275
H -9.296653 -2.324101 -0.174438
H -9.336750 2.038925 0.259758
H -10.836996 1.151475 -0.155148
H -9.538052 1.330344 -1.367951
H -5.073527 0.109688 -2.261394
H -4.756925 -0.300568 2.058201
H 4.011832 2.336298 -1.251438
H 2.616988 -1.086115 1.893665
H 7.102360 -2.596761 0.220824
H -3.176595 1.212234 -1.991702
H -2.886629 -1.348264 1.519854
H -0.677010 1.223115 -2.180480
H -0.389299 -1.302894 1.338627
H 3.586402 -3.230147 2.710044
H 5.832060 -4.009008 1.890431


