%chk=000001082.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001082

0 1
 S   -2.025500       1.882900       1.219300    
 O    1.561500      0.9683000      -1.918500    
 O   -1.535500      -1.775600      0.4522000    
 O    4.780200      -1.363500       1.856000    
 O    6.022900      -1.843700      2.1199999E-02
 O   -3.935400       3.501400      0.2164000    
 O   -4.846400     -0.4348000      0.7821000    
 O   -5.985900      -2.383200      0.5529000    
 N   0.2967000      8.9800000E-02 -0.1796000    
 N   -3.085900     -0.9677000      -1.072700    
 N    6.426400      0.8558000     -0.3632000    
 C  -0.9966000      0.2267000     -0.8086000    
 C    3.997200      0.6302000     -0.5727000    
 C    2.683100      0.2101000      8.9000002E-02
 C    5.212800      0.4329000      0.3399000    
 C    1.477500      0.4769000     -0.7962000    
 C   -1.627500       1.594400     -0.5358000    
 C   -1.880300     -0.9452000     -0.3862000    
 C    5.403700      -1.030400      0.6958000    
 C   -4.081000      -1.993900     -0.8663000    
 C   -2.793200       3.512600       1.058200    
 C   -5.068700      -1.644100      0.2169000    
 H  -0.8459000      0.1341000      -1.892400    
 H    3.930300       1.685900     -0.8679000    
 H    4.124400      5.5199999E-02  -1.500300    
 H    2.545700      0.7565000       1.029500    
 H    2.690600     -0.8622000      0.3136000    
 H    5.116100       1.022100       1.258600    
 H   0.3334000     -0.2876000      0.7633000    
 H  -0.9405000       2.385600     -0.8568000    
 H   -2.548000       1.702500      -1.117700    
 H   -3.284800     -0.2521000      -1.765000    
 H    7.223700      0.8026000      0.2699000    
 H    6.342200       1.836000     -0.6299000    
 H   -3.584200      -2.930400     -0.5964000    
 H   -4.623900      -2.112600      -1.808100    
 H   -3.101200       3.850300       2.051900    
 H   -2.063100       4.224400      0.6614000    
 H    4.895800      -2.313100       2.073400    
 H   -4.282500       4.409400      0.1935000    
 H   -5.501600     -0.2304000       1.482800    


%chk=000001082-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001082

0 1
S -1.917144 1.726509 1.203398
O 1.490267 1.498663 -1.522820
O -1.537107 -1.799773 0.473500
O 4.726026 -1.403084 1.686367
O 6.892806 -1.379936 0.870624
O -4.694531 2.362279 1.033727
O -4.958523 0.576502 -0.784972
O -5.368743 -0.532583 1.216407
N 0.366670 -0.047617 -0.217150
N -2.980598 -1.164132 -1.252627
N 6.452378 0.840170 -0.647517
C -0.896059 0.117429 -0.932997
C 4.019579 0.352753 -0.568902
C 2.738233 0.383043 0.291971
C 5.353890 0.453171 0.231585
C 1.500591 0.659374 -0.563807
C -1.567248 1.496069 -0.660874
C -1.819828 -1.052091 -0.509348
C 5.761457 -0.849025 0.922741
C -4.212620 -1.706015 -0.651395
C -3.354144 2.949466 1.169978
C -4.936941 -0.536589 0.037974
H -0.700317 0.084627 -2.025663
H 3.988397 1.221908 -1.251549
H 4.047692 -0.546337 -1.210903
H 2.818556 1.211011 1.027467
H 2.626903 -0.546957 0.873978
H 5.172816 1.174364 1.072445
H 0.358896 -0.756058 0.527159
H -0.876008 2.289380 -0.984229
H -2.527974 1.576453 -1.198028
H -3.136453 -0.477875 -1.995833
H 7.368524 0.446935 -0.428283
H 6.436233 1.792641 -1.006595
H -3.947794 -2.461213 0.102584
H -4.852228 -2.163343 -1.424913
H -3.282033 3.498620 2.123119
H -3.244796 3.639660 0.322138
H 5.063253 -2.226394 2.134092
H -4.900514 1.742686 1.785676
H -5.044966 1.431408 -0.205026


