%chk=000063548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063548

0 1
 S    2.697400      -1.546900      -1.164200    
 O  -0.5119000      -3.496300     -0.3231000    
 O   -2.753200      -2.048700      0.3967000    
 N   0.6390000      -1.597800      0.4204000    
 N   -1.309500     -0.3160000      0.9870000    
 N   -1.938200       1.954100      0.6633000    
 N    2.190800      0.1772000      0.7810000    
 C  -0.2773000      -1.227500       1.455800    
 C   0.4343000      -2.717500     -0.3982000    
 C    1.790900     -0.8756000      0.1560000    
 C    1.522400      -2.890900      -1.426300    
 C   -2.497500     -0.8514000      0.4821000    
 C   -3.486400      0.1539000      2.8999999E-02
 C   -3.164900       1.513500      0.1389000    
 C   -1.099600       1.049500       1.048300    
 C   -4.717000     -0.2516000     -0.4979000    
 C   -4.098900       2.463500     -0.2892000    
 C   -5.636200      0.7080000     -0.9197000    
 C   -5.328200       2.063200     -0.8158000    
 C    3.398400      0.7372000      0.3274000    
 C    3.377600       1.705300     -0.6711000    
 C    4.603600      0.3177000      0.8807000    
 C    4.575400       2.260300      -1.121200    
 C    5.801500      0.8728000      0.4306000    
 C    5.787400       1.844200     -0.5704000    
 H  -0.7492000      -2.131500       1.856700    
 H   0.2732000     -0.7447000       2.271200    
 H    2.013500      -3.856200      -1.281900    
 H    1.092800      -2.827500      -2.429000    
 H  -0.1302000       1.346700       1.473900    
 H   -4.975300      -1.303000     -0.5872000    
 H   -3.873700       3.524700     -0.2149000    
 H   -6.593400      0.3992000      -1.329800    
 H   -6.045600       2.809500      -1.144900    
 H    2.437700       2.037600      -1.104000    
 H    4.624200     -0.4366000       1.662800    
 H    4.564400       3.016900      -1.900300    
 H    6.745200      0.5491000      0.8597000    
 H    6.720100       2.276500     -0.9207000    


%chk=000063548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063548

0 1
S 2.541048 -2.353782 -1.234130
O -0.264019 -4.368675 0.766923
O -2.299089 -2.041576 -0.185926
N 0.629495 -2.191986 0.662735
N -1.114388 -0.539149 1.167382
N -1.550541 1.834758 1.202720
N 1.850289 -0.184602 0.512765
C -0.285267 -1.647777 1.679987
C 0.498392 -3.531247 0.233225
C 1.654606 -1.391944 0.107976
C 1.400408 -3.832717 -0.959793
C -2.134220 -0.849889 0.208095
C -2.913277 0.322199 -0.231829
C -2.596485 1.625452 0.276061
C -0.873068 0.774809 1.592069
C -3.972584 0.157823 -1.162015
C -3.353270 2.745289 -0.163227
C -4.713260 1.273676 -1.585145
C -4.400050 2.568891 -1.083584
C 2.852548 0.724885 0.088695
C 2.489780 2.096531 0.002098
C 4.194153 0.337514 -0.187093
C 3.443880 3.058135 -0.387965
C 5.144330 1.310734 -0.563761
C 4.775197 2.671462 -0.674174
H -0.931576 -2.491459 1.978591
H 0.293437 -1.266512 2.536700
H 2.001506 -4.732560 -0.763394
H 0.776393 -3.988915 -1.854317
H -0.043648 0.895600 2.294577
H -4.188030 -0.850531 -1.530280
H -3.094768 3.730299 0.236470
H -5.532183 1.149689 -2.301322
H -4.980872 3.435311 -1.418399
H 1.459034 2.384666 0.234022
H 4.497073 -0.710244 -0.082007
H 3.149741 4.110794 -0.462637
H 6.176436 1.004568 -0.767969
H 5.516448 3.421381 -0.970421


