%chk=000064318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064318

0 1
 S    3.844600      7.2400004E-02 -0.7856000    
 P    5.499500     -0.8517000      0.1073000    
 O    6.184200      -1.866300     -0.9576000    
 O    4.974600      -1.882800       1.244700    
 O    6.468300      0.1648000      0.6478000    
 N   0.7437000       1.113900      4.5100000E-02
 N    2.094300       3.009800     -0.5608000    
 C   -1.641700      0.8487000     -0.3010000    
 C   -3.070800     -0.3766000       1.412600    
 C   -2.617600      -1.435500     -0.8576000    
 C   -4.130500      0.5846000     -0.6746000    
 C   -1.855600      0.5557000       1.201900    
 C   -1.408200     -0.4896000      -1.039100    
 C   -2.819000      -1.699300      0.6525000    
 C   -2.919100       1.510400     -0.8645000    
 C   -4.326800      0.3035000      0.8232000    
 C   -3.880200     -0.7395000      -1.412800    
 C  -0.4375000       1.775700     -0.4929000    
 C   -3.271700     -0.6544000       2.905400    
 C   -2.373000      -2.754700      -1.596800    
 C    1.862000       1.760600     -2.9700000E-02
 C    3.080200       1.050200      0.5328000    
 H   -5.028000       1.066400      -1.078600    
 H  -0.9644000      8.5699998E-02   1.638200    
 H   -2.009000       1.496800       1.747300    
 H   -1.239200     -0.3016000      -2.108100    
 H  -0.5049000     -0.9891000     -0.6653000    
 H   -1.935200      -2.204600       1.064600    
 H   -3.665800      -2.382700      0.8022000    
 H   -2.791500       1.735900      -1.931200    
 H   -3.104900       2.468000     -0.3610000    
 H   -4.532500       1.243700       1.350800    
 H   -5.207400     -0.3361000      0.9658000    
 H   -4.754400      -1.394000      -1.302400    
 H   -3.766000     -0.5464000      -2.487400    
 H  -0.6161000       2.725200      2.7700000E-02
 H  -0.3032000       1.989600      -1.561000    
 H   -4.130500      -1.313700       3.072700    
 H   -2.389900      -1.138100       3.339900    
 H   -3.450400      0.2737000       3.459600    
 H   -3.222000      -3.437000      -1.479000    
 H   -2.227000      -2.585500      -2.669400    
 H   -1.480800      -3.262800      -1.214500    
 H    3.800700       1.778100      0.9171000    
 H    2.781800      0.3881000       1.351400    
 H    1.350500       3.568300     -0.9645000    
 H    3.023800       3.416800     -0.5727000    
 H    7.038500      -2.288500     -0.7248000    
 H    5.632000      -2.307700       1.835900    


%chk=000064318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064318

0 1
S 4.347672 -1.306949 0.097909
P 5.964487 0.266900 0.164781
O 6.678194 0.389515 -1.412349
O 7.295537 -0.519594 0.901304
O 5.487748 1.654871 0.795855
N 0.895088 0.100210 0.260916
N 2.668391 1.751968 0.144674
C -1.508399 0.490397 -0.304822
C -3.381792 -0.189249 1.313518
C -3.093680 -1.431711 -0.923455
C -3.936695 0.976022 -0.888031
C -1.922584 0.330389 1.183817
C -1.638853 -0.887600 -1.011462
C -3.483617 -1.557068 0.577789
C -2.477901 1.494381 -0.988285
C -4.329396 0.822331 0.604720
C -4.047637 -0.400350 -1.594377
C -0.057105 1.021182 -0.396054
C -3.767786 -0.346590 2.798945
C -3.198363 -2.801852 -1.625260
C 2.120993 0.517889 0.484046
C 3.048567 -0.425054 1.218145
H -4.618929 1.699859 -1.377624
H -1.219391 -0.367954 1.677645
H -1.831290 1.309360 1.702023
H -1.347484 -0.787024 -2.079183
H -0.928850 -1.597506 -0.545319
H -2.817274 -2.293841 1.073125
H -4.520119 -1.947226 0.661216
H -2.196396 1.625818 -2.054414
H -2.397542 2.489572 -0.502323
H -4.271976 1.805499 1.116501
H -5.379202 0.472498 0.686688
H -5.092967 -0.769274 -1.542444
H -3.789604 -0.299604 -2.668891
H -0.031737 2.041236 0.064138
H 0.212123 1.146155 -1.472286
H -4.807020 -0.713560 2.905686
H -3.099836 -1.067282 3.308804
H -3.693719 0.619714 3.334587
H -4.229212 -3.202551 -1.568076
H -2.925308 -2.723495 -2.695460
H -2.520547 -3.541332 -1.157333
H 3.613139 0.072483 2.023202
H 2.461632 -1.265166 1.617073
H 2.103086 2.445237 -0.339932
H 3.625310 1.992831 0.437635
H 6.166206 0.912164 -2.080401
H 8.177937 -0.258252 0.526639


