%chk=000122044.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122044

0 1
 S   -2.004400       2.943200       1.324000    
 O   -2.530200       2.932500       2.684100    
 O   -2.383200       4.033400      0.4332000    
 O    2.017900       1.184200       1.411200    
 O    3.282000      0.6833000      -1.007300    
 O   1.6899999E-02  -3.130200      0.7824000    
 O    4.707000      -1.640000      -1.563500    
 N  -0.2867000       2.842700       1.413900    
 N  -5.0700001E-02   3.068600     -0.9231000    
 N    1.734400       1.987400      -2.128100    
 C   -3.524700      -2.322300      -1.292400    
 C   -3.139200     -0.9895000     -0.6297000    
 C   -3.783500      -3.468100     -0.2881000    
 C   -2.387300      -2.784900      -2.228600    
 C   -4.817300      -2.138100      -2.116600    
 C   -3.051700     -0.9006000      0.7596000    
 C   -2.878200      0.1315000      -1.418000    
 C   -2.442100       1.429600      0.5724000    
 C   -2.703100      0.3088000       1.360600    
 C   -2.529700       1.340900     -0.8171000    
 C   0.4365000       2.525700      0.2119000    
 C    1.552200       1.715100      0.2566000    
 C    2.166800       1.477700     -0.9560000    
 C    2.080800     -0.1990000       1.513100    
 C   0.6369000       2.762800      -2.040000    
 C    3.864900      0.4802000      -2.289000    
 C    1.004900     -0.9792000       1.089300    
 C    3.218700     -0.8082000       2.041900    
 C    1.067200      -2.368700       1.194200    
 C    3.280900      -2.197800       2.146800    
 C    2.205000      -2.978000       1.723000    
 C    5.092100     -0.3984000      -2.140900    
 C   0.1467000      -4.544400      0.9204000    
 H   -4.616700      -3.237300      0.3861000    
 H   -2.898300      -3.687400      0.3186000    
 H   -4.047100      -4.395500     -0.8113000    
 H   -2.620600      -3.753600      -2.685700    
 H   -2.212000      -2.078800      -3.047700    
 H   -1.443700      -2.893200      -1.681600    
 H   -4.690200      -1.418400      -2.932600    
 H   -5.639500      -1.779100      -1.486200    
 H   -5.134300      -3.084200      -2.571100    
 H   -3.241100      -1.740400       1.418700    
 H   -2.947100      9.1700003E-02  -2.501200    
 H   -2.632000      0.3527000       2.443800    
 H   -2.373700       2.203700      -1.456200    
 H   0.1204000       2.479700       2.285300    
 H   0.2667000       3.184400      -2.966300    
 H    4.161200       1.438000      -2.732700    
 H    3.139600     -2.5000000E-02  -2.938700    
 H   0.1088000     -0.5244000      0.6804000    
 H    4.059700     -0.2051000       2.372600    
 H    4.167700      -2.671100       2.558100    
 H    2.319900      -4.050800       1.833400    
 H    5.557200     -0.5865000      -3.112900    
 H    5.820500      6.8800002E-02  -1.470700    
 H    5.513700      -2.175700      -1.475200    
 H   0.9669000      -4.934500      0.3082000    
 H   0.2365000      -4.839000       1.971400    
 H  -0.7756000      -4.994400      0.5395000    


%chk=000122044-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122044

0 1
S -2.091367 2.049622 1.179522
O -2.445528 1.921239 2.761911
O -1.958749 3.496658 0.470023
O 2.153642 0.607893 1.588902
O 3.888930 0.380154 -0.768690
O 4.666144 -3.452048 0.819775
O 5.366541 -2.198359 -1.700043
N -0.470744 1.136538 1.152807
N -0.152715 1.317808 -1.193329
N 2.038117 0.912554 -2.158631
C -6.164458 -1.427547 -1.998446
C -5.141311 -0.593758 -1.192908
C -6.895218 -2.476446 -1.121550
C -5.425098 -2.179453 -3.146823
C -7.231903 -0.469589 -2.610859
C -4.939341 -0.774935 0.200614
C -4.372527 0.405202 -1.856636
C -3.274257 0.962364 0.204167
C -4.004605 0.004857 0.919299
C -3.428469 1.194273 -1.170701
C 0.366940 1.075118 0.054133
C 1.737721 0.725453 0.246267
C 2.553814 0.678832 -0.916663
C 3.053061 -0.401027 2.024998
C 0.715728 1.218846 -2.231827
C 4.728614 0.195586 -1.992409
C 3.354528 -1.535518 1.256889
C 3.617060 -0.199570 3.305551
C 4.323119 -2.440207 1.744892
C 4.526787 -1.156027 3.796244
C 4.907561 -2.279554 3.021525
C 5.826701 -0.813953 -1.651011
C 5.644064 -4.465763 1.233365
H -7.470805 -2.002678 -0.304925
H -6.190578 -3.203972 -0.677629
H -7.610245 -3.043104 -1.744899
H -6.149956 -2.765883 -3.741391
H -4.912395 -1.482098 -3.833092
H -4.666897 -2.873993 -2.741488
H -6.774160 0.281592 -3.278762
H -7.778543 0.071455 -1.817086
H -7.964318 -1.048543 -3.203387
H -5.515162 -1.526747 0.746229
H -4.507588 0.575216 -2.929898
H -3.862937 -0.112410 1.998364
H -2.822566 1.951470 -1.674956
H -0.069364 1.071529 2.097070
H 0.311959 1.411405 -3.229829
H 5.152576 1.184193 -2.251292
H 4.096505 -0.160783 -2.821724
H 2.899543 -1.716148 0.281496
H 3.350746 0.691600 3.879776
H 4.967680 -1.016869 4.788943
H 5.645198 -2.987421 3.408560
H 6.608689 -0.728669 -2.428800
H 6.280318 -0.554592 -0.672121
H 5.034495 -2.519198 -0.816019
H 6.620651 -4.003112 1.471262
H 5.271568 -5.033953 2.105472
H 5.749506 -5.132729 0.365967


