%chk=000107947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107947

0 1
 S   -4.178000       1.488600      -2.047400    
 O   -5.072300      -1.864800      0.6669000    
 O   -7.723100       2.071800       1.050500    
 O   -5.940300       1.470500       2.337300    
 O  -0.4266000     -0.3612000      -1.469700    
 O    2.400600      -1.044700       2.536500    
 O    3.725500     -5.0500002E-02  -1.218000    
 N   -4.646100      0.4226000      0.2705000    
 N   -1.920800      -1.187900      0.1008000    
 N    1.611800     -0.7028000      0.3692000    
 N    5.129700       2.034900       1.957000    
 N    5.746200       1.689900      -1.662400    
 C   -3.464000      0.7606000     -0.5278000    
 C   -5.631400       2.154600      -1.091700    
 C   -5.910300       1.058100     -4.1299999E-02
 C   -3.140600     -0.7392000     -0.5657000    
 C   -4.421600     -0.9238000      0.2722000    
 C   -6.815600       2.328400      -2.044400    
 C   -5.226700       3.512800     -0.5026000    
 C   -6.491400       1.541600       1.249000    
 C  -0.6439000     -0.9571000     -0.4163000    
 C   0.4595000      -1.567300      0.4384000    
 C   0.7867000      -2.978600      9.3000000E-03
 C   0.1032000      -4.037700      0.5839000    
 C    1.763700      -3.186200     -0.9508000    
 C    2.478900     -0.5216000       1.430400    
 C   0.4051000      -5.340600      0.1877000    
 C    2.065400      -4.489200      -1.346900    
 C    3.580200      0.4063000       1.114300    
 C    1.385900      -5.566300     -0.7777000    
 C    4.146500      0.5789000     -0.2560000    
 C    4.106800       1.137400       2.106900    
 C    5.253700       1.553400     -0.4117000    
 C    5.710000       2.252000      0.7081000    
 C    6.751000       3.154900      0.5102000    
 C    7.286800       3.324900     -0.7639000    
 C    6.755300       2.577200      -1.804600    
 H   -2.763700       1.401100      1.7100001E-02
 H   -6.575500      0.2784000     -0.4363000    
 H   -3.234400      -1.212600      -1.551700    
 H   -6.584200       3.038200      -2.847500    
 H   -7.106100       1.379900      -2.510800    
 H   -7.694200       2.714900      -1.517100    
 H   -4.404200       3.425000      0.2160000    
 H   -4.912900       4.212000      -1.287100    
 H   -6.066400       3.984700      1.9800000E-02
 H   -1.990700      -1.704200      0.9745000    
 H   0.1342000      -1.578900       1.487000    
 H   -8.121500       2.396000       1.886100    
 H    1.772200     -0.2058000     -0.5024000    
 H  -0.6624000      -3.873400       1.336600    
 H    2.294900      -2.369500      -1.427800    
 H  -0.1241000      -6.179300      0.6306000    
 H    2.825700      -4.665200      -2.102200    
 H    1.620000      -6.580700      -1.087200    
 H    3.758300       1.083200       3.132100    
 H    5.458800       2.541300       2.767700    
 H    7.151300       3.729800       1.341000    
 H    8.097900       4.023300     -0.9373000    
 H    7.142400       2.677900      -2.813200    


%chk=000107947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107947

0 1
S -4.662477 2.788232 -0.613831
O -3.810496 -1.311524 -2.328743
O -8.448288 -0.389310 -1.127128
O -7.127867 -1.112406 0.647892
O -0.043340 1.330470 -0.880274
O 2.789678 -0.336309 2.542222
O 3.781066 0.983730 -1.429180
N -4.851174 0.125148 -0.664794
N -1.672490 -0.094360 -0.020301
N 2.010092 0.028886 0.374833
N 6.618840 0.930221 1.618089
N 6.431247 1.794166 -1.981504
C -3.980433 1.126054 0.001705
C -6.450350 2.009130 -0.630883
C -6.216568 0.482074 -1.040199
C -2.749219 0.508858 -0.768897
C -3.807428 -0.439330 -1.444143
C -7.288563 2.741430 -1.693000
C -7.056639 2.157638 0.781336
C -7.256587 -0.432296 -0.385968
C -0.360707 0.352875 -0.146595
C 0.660027 -0.424022 0.718506
C 0.501302 -1.951126 0.617441
C 0.563076 -2.740541 1.792229
C 0.335352 -2.588678 -0.639668
C 2.992057 0.038376 1.332541
C 0.450608 -4.147482 1.714478
C 0.224410 -3.993239 -0.717100
C 4.347252 0.520635 0.884459
C 0.279202 -4.776681 0.460337
C 4.651062 0.959378 -0.492237
C 5.327810 0.525526 1.863878
C 6.072547 1.383316 -0.723228
C 7.023889 1.360011 0.348878
C 8.362499 1.771822 0.107159
C 8.709849 2.189525 -1.184841
C 7.709143 2.182662 -2.198387
H -3.949745 1.090540 1.100024
H -6.331666 0.383220 -2.135832
H -2.308583 1.218684 -1.491038
H -7.445990 3.796193 -1.406985
H -6.794815 2.718748 -2.679846
H -8.278414 2.257772 -1.784841
H -6.472453 1.613551 1.543278
H -7.082125 3.223431 1.062209
H -8.094680 1.772909 0.803010
H -1.844728 -0.956573 0.503502
H 0.489466 -0.143229 1.778968
H -9.125113 -0.982987 -0.701827
H 2.237670 0.413123 -0.564272
H 0.733292 -2.248836 2.756644
H 0.290462 -1.989100 -1.557232
H 0.501902 -4.749612 2.628494
H 0.089905 -4.475877 -1.691328
H 0.189928 -5.867149 0.398839
H 5.069847 0.194309 2.874791
H 7.303754 0.916057 2.376557
H 9.102401 1.760791 0.916534
H 9.728049 2.515458 -1.417697
H 7.948452 2.501718 -3.218936


