%chk=000089134.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089134

0 1
 S    2.123500       2.621900      -1.003300    
 P    2.930700       1.362400      0.4726000    
 P   -2.568600     -4.9300000E-02  -1.261900    
 O    3.350500     -7.3399998E-02 -0.1639000    
 O    4.356300       1.966900      0.9692000    
 O   -2.050400     -0.7820000      8.9299999E-02
 O   -3.349800       1.235800     -0.6512000    
 O    1.954500       1.201300       1.609200    
 O   -3.471600     -0.9179000      -2.100900    
 N   -1.223600      0.5746000      -2.002400    
 C  -0.3246000       1.420400      -1.223000    
 C    1.001800       1.578800      -1.955700    
 C    3.977900      -1.052700      0.6459000    
 C    5.380000       2.175900      1.1300000E-02
 C    4.256100      -2.285600     -0.2003000    
 C    6.717700       2.256000      0.7309000    
 C    4.917000      -3.387800      0.6078000    
 C    7.864800       2.494900     -0.2345000    
 C   -1.159600      -1.820400      0.1329000    
 C   -4.524400       1.196000      5.0799999E-02
 C   -1.090400      -2.725200     -0.9265000    
 C   -5.150900     -2.6500000E-02  0.2938000    
 C  -0.3212000      -1.974100       1.237200    
 C   -5.095000       2.378100      0.5231000    
 C  -0.1832000      -3.783700     -0.8816000    
 C   -6.348100     -6.6900000E-02   1.008500    
 C   0.5862000      -3.032600       1.281800    
 C   -6.292200       2.337500       1.237900    
 C   0.6551000      -3.937400      0.2224000    
 C   -6.918600       1.115000       1.480500    
 H  -0.1516000      0.9701000     -0.2408000    
 H  -0.8005000       2.394900      -1.063000    
 H   0.8443000       2.053000      -2.930500    
 H    1.475400      0.6074000      -2.131900    
 H   -1.366000      0.9976000      -2.919200    
 H    4.911400     -0.6483000       1.049300    
 H    3.315900      -1.299000       1.482100    
 H    5.392000       1.361400     -0.7201000    
 H    5.178500       3.113200     -0.5170000    
 H    3.322100      -2.651500     -0.6412000    
 H    4.897600      -2.010600      -1.046200    
 H    6.686700       3.058000       1.478000    
 H    6.889500       1.328900       1.290800    
 H    5.873100      -3.051700       1.021600    
 H    4.275500      -3.704200       1.436400    
 H    5.108200      -4.259700     -2.5400000E-02
 H    7.937400       1.683400     -0.9657000    
 H    7.731100       3.436000     -0.7774000    
 H    8.813200       2.548100      0.3090000    
 H   -1.730300      -2.642700      -1.797100    
 H   -4.740300     -0.9746000     -3.1300001E-02
 H  -0.3690000      -1.270900       2.064000    
 H   -4.611300       3.333100      0.3370000    
 H  -0.1297000      -4.489100      -1.705800    
 H   -6.833900      -1.018800       1.202100    
 H    1.240800      -3.151000       2.140300    
 H   -6.736400       3.257800       1.605800    
 H    1.362900      -4.760400      0.2569000    
 H   -7.850000       1.083500       2.038300    


%chk=000089134-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089134

0 1
S 2.520675 2.694050 -1.465677
P 3.070260 1.348934 0.317588
P -2.293210 -0.176563 -1.416289
O 3.738576 -0.000055 -0.558197
O 4.414736 2.160039 1.033866
O -1.652504 -0.590972 0.147632
O -3.240375 1.178285 -0.879556
O 1.946525 0.972941 1.377285
O -3.033881 -1.304443 -2.258687
N -0.994771 0.578300 -2.231607
C -0.094276 1.576583 -1.610627
C 1.295436 1.476415 -2.264365
C 3.637946 -1.373630 0.036620
C 5.651359 2.406032 0.228779
C 4.118286 -2.343969 -1.043401
C 6.648561 3.072744 1.177464
C 4.071611 -3.804186 -0.536322
C 7.978647 3.386867 0.455190
C -1.022647 -1.830066 0.468596
C -4.398942 1.038832 -0.055527
C -1.412075 -3.060524 -0.108199
C -5.353175 0.018920 -0.269140
C -0.025215 -1.754476 1.465266
C -4.570615 2.019327 0.943058
C -0.778160 -4.243253 0.337517
C -6.501819 -0.013065 0.553672
C 0.581916 -2.951339 1.907215
C -5.731350 1.979303 1.746596
C 0.211841 -4.197433 1.346521
C -6.697426 0.962756 1.558370
H -0.021559 1.353918 -0.531500
H -0.491951 2.604716 -1.715948
H 1.275588 1.776137 -3.327406
H 1.718271 0.461711 -2.188938
H -1.049323 0.552099 -3.253127
H 4.278071 -1.421378 0.939273
H 2.590035 -1.569245 0.327708
H 6.029045 1.440715 -0.158050
H 5.402386 3.063941 -0.626707
H 3.476464 -2.231020 -1.936907
H 5.147285 -2.073032 -1.344902
H 6.198801 4.000617 1.575526
H 6.826767 2.403329 2.038909
H 4.729785 -3.947071 0.341243
H 3.045127 -4.092115 -0.243820
H 4.408196 -4.499393 -1.325556
H 8.456696 2.467167 0.069176
H 7.821901 4.072151 -0.398630
H 8.689996 3.870364 1.147500
H -2.188012 -3.089141 -0.879731
H -5.198387 -0.724378 -1.058552
H 0.265765 -0.778763 1.866078
H -3.802739 2.786644 1.078166
H -1.072369 -5.203425 -0.100827
H -7.247457 -0.801130 0.400845
H 1.345301 -2.903896 2.692088
H -5.874300 2.737660 2.524178
H 0.684135 -5.121635 1.697062
H -7.592951 0.931998 2.188110


