%chk=000166475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166475

0 1
 S   -7.406200       1.050800     -0.5088000    
 O    5.346300      -2.501800     -3.7999999E-02
 O   -7.679900       1.157900      -2.117300    
 O   -8.672600      0.6938000      0.1141000    
 O   -6.686000       2.244500     -9.3199998E-02
 N    3.302000     -0.1030000      0.8140000    
 N   -2.255900     -0.7217000      0.9203000    
 N    3.720200     -0.2398000     -0.3579000    
 N   -2.677900     -0.9531000     -0.2352000    
 C    1.082500      0.9262000      0.6739000    
 C  -0.3239000      0.7696000      0.7002000    
 C    1.902400     -0.2027000      0.8339000    
 C  -0.8688000     -0.5114000      0.8858000    
 C    1.627400       2.207200      0.4881000    
 C   -1.143800       1.898500      0.5402000    
 C    1.343700      -1.467900       1.017400    
 C  -3.9099999E-02  -1.621900       1.043200    
 C   0.7978000       3.317700      0.3308000    
 C  -0.5850000       3.163700      0.3567000    
 C    5.121900     -0.1396000     -0.3773000    
 C    7.101800       1.222100     -0.5788000    
 C    5.711600       1.108500     -0.5582000    
 C    5.911500      -1.274900     -0.2170000    
 C   -4.067000      -1.164100     -0.2011000    
 C   -6.312400     -0.2962000     -0.3183000    
 C   -4.933900     -8.6300001E-02 -0.3530000    
 C    7.896700      8.7300003E-02 -0.4185000    
 C    7.301600      -1.161200     -0.2376000    
 C   -6.817300      -1.583100     -0.1318000    
 C   -4.565300      -2.449900     -1.4800000E-02
 C    7.738700       2.556800     -0.7713000    
 C   -5.943800      -2.660000      2.0000000E-02
 C    5.072700      -3.266100      -1.210500    
 H    2.701900       2.371900      0.4674000    
 H   -2.228200       1.822700      0.5597000    
 H    1.979500      -2.341000       1.141600    
 H  -0.4620000      -2.612900       1.188100    
 H    1.231800       4.303400      0.1896000    
 H   -1.230100       4.029200      0.2356000    
 H    5.090100       1.991500     -0.6864000    
 H   -4.526100      0.9093000     -0.5070000    
 H    8.980800      0.1624000     -0.4343000    
 H    7.927200      -2.040900     -0.1128000    
 H   -7.886900      -1.771500     -0.1087000    
 H   -3.891800      -3.294600      0.1033000    
 H    8.714200       2.605400     -0.2756000    
 H    7.121800       3.353700     -0.3422000    
 H    7.877700       2.756200      -1.838500    
 H   -6.336800      -3.662300      0.1634000    
 H    5.999500      -3.485800      -1.749600    
 H    4.374400      -2.734500      -1.864700    
 H    4.614000      -4.210300     -0.9043000    
 H   -8.108700      0.3697000      -2.526500    


%chk=000166475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166475

0 1
S -7.608875 0.772281 0.030016
O 6.022939 -2.818426 -0.927003
O -7.768760 0.792869 -1.823903
O -9.046841 0.385587 0.664941
O -6.844700 2.120327 0.494898
N 3.334243 0.434270 -0.139171
N -2.310146 -0.281298 0.049016
N 4.080749 -0.638170 -0.326971
N -2.780648 -1.507130 0.109534
C 1.079538 1.349716 -0.071593
C -0.357173 1.171127 -0.016769
C 1.937917 0.182197 -0.106939
C -0.898594 -0.174317 0.004275
C 1.616866 2.678058 -0.093253
C -1.200385 2.328322 0.013751
C 1.365597 -1.115892 -0.080772
C -0.025645 -1.291065 -0.026472
C 0.769899 3.787562 -0.063442
C -0.647830 3.610932 -0.009560
C 5.475245 -0.411245 -0.297726
C 7.439545 1.071590 0.046595
C 6.057089 0.862146 0.019246
C 6.353050 -1.513549 -0.593463
C -4.206953 -1.584493 0.133451
C -6.445288 -0.708868 0.094060
C -5.075930 -0.456146 0.060184
C 8.290200 -0.039743 -0.259177
C 7.760653 -1.295563 -0.570555
C -7.032073 -1.984259 0.196078
C -4.756500 -2.891295 0.231422
C 8.039804 2.423351 0.386179
C -6.152833 -3.089354 0.266748
C 4.646252 -3.337274 -0.958478
H 2.702853 2.791112 -0.133590
H -2.281992 2.180353 0.055925
H 2.038574 -1.977331 -0.097106
H -0.469142 -2.291028 -0.007042
H 1.189955 4.799130 -0.079471
H -1.303907 4.487798 0.014532
H 5.360254 1.674864 0.245884
H -4.661417 0.554003 -0.007190
H 9.378528 0.095208 -0.244896
H 8.405971 -2.147827 -0.802260
H -8.119428 -2.100658 0.231690
H -4.062377 -3.735905 0.284324
H 8.721093 2.353570 1.255039
H 7.258731 3.163184 0.628883
H 8.632074 2.822775 -0.458943
H -6.561702 -4.101106 0.347199
H 4.031773 -2.789315 -1.691644
H 4.174183 -3.252707 0.035132
H 4.769271 -4.392497 -1.248365
H -8.371404 1.555628 -2.065148


