%chk=000053632.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053632

0 1
 S    4.244400      -1.368000      0.5532000    
 S    2.855800      -2.653600       1.371100    
 O  -0.6597000      -1.414800      -1.205200    
 O    3.786800      -3.641300       2.009900    
 O  -0.6697000      -3.063500      0.4369000    
 N    1.256600      -2.516800     -0.7331000    
 C   0.9063000       3.651100     -0.1517000    
 C    1.755100       2.379700      1.3400000E-02
 C    1.524400       4.799200      0.6752000    
 C   0.7997000       4.146500      -1.611800    
 C  -0.5312000       3.384400      0.3451000    
 C    2.318800       1.822500      -1.107100    
 C    1.909600       1.859400       1.273800    
 C    3.087800      0.6685000     -0.9569000    
 C    3.267900      0.1100000      0.3084000    
 C    2.678700      0.7054000       1.423800    
 C   -4.195900      0.8776000       1.268900    
 C    3.698900      6.7699999E-02  -2.182500    
 C   -3.756300     -0.1102000      0.2418000    
 C   -5.032100       2.022100      0.6656000    
 C   -4.970600      0.2188000       2.426100    
 C   -2.396900     -0.3030000     -3.8999999E-03
 C   -4.704900     -0.8412000     -0.4735000    
 C   -2.022100      -1.221700     -0.9582000    
 C   -4.294100      -1.765000      -1.434400    
 C   -2.934600      -1.957800      -1.680000    
 C    2.158500      -3.451700     -0.1002000    
 C  -8.1000000E-02  -2.404300     -0.4146000    
 H   0.9621000       5.730500      0.5390000    
 H    1.528500       4.585300       1.749500    
 H    2.561100       4.989500      0.3730000    
 H   0.1836000       5.052700      -1.669800    
 H    1.778800       4.408600      -2.029700    
 H   0.3237000       3.404700      -2.264100    
 H  -0.9950000       2.566200     -0.2174000    
 H   -1.162900       4.271500      0.2179000    
 H  -0.5676000       3.117900       1.406800    
 H    2.201000       2.228900      -2.103500    
 H    1.462600       2.306000       2.155300    
 H    2.810500      0.2967000       2.422700    
 H   -3.306800       1.344100       1.715200    
 H    3.379800      0.5854000      -3.094100    
 H    3.411300     -0.9806000      -2.302500    
 H    4.790800      0.1404000      -2.136900    
 H   -4.485500       2.517000     -0.1449000    
 H   -5.257300       2.775800       1.428000    
 H   -5.984000       1.664200      0.2591000    
 H   -5.920700     -0.2109000       2.090900    
 H   -5.194200      0.9547000       3.206000    
 H   -4.380700     -0.5848000       2.881100    
 H   -1.644600      0.2539000      0.5465000    
 H   -5.768800     -0.7072000     -0.2987000    
 H   -5.032500      -2.334100      -1.991500    
 H   -2.614500      -2.676100      -2.428300    
 H    2.948600      -3.726400     -0.8034000    
 H    1.611400      -4.343800      0.2165000    
 H    1.622500      -1.908900      -1.457700    


%chk=000053632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053632

0 1
S 3.364850 -1.051779 0.091677
S 2.234953 -1.520878 2.311392
O -1.378812 -2.072771 -0.666052
O 3.281833 -2.242183 3.360501
O -1.531288 -2.794485 1.604517
N 0.482440 -2.760644 0.394297
C 3.437315 5.169975 0.057900
C 3.373546 3.625682 0.055304
C 4.758182 5.628408 -0.633096
C 2.246048 5.818926 -0.692082
C 3.424296 5.678728 1.532127
C 2.326306 2.901713 -0.569153
C 4.398245 2.875595 0.698875
C 2.258509 1.485150 -0.570943
C 3.305283 0.764425 0.081162
C 4.366730 1.471842 0.708115
C -6.326437 -2.162154 0.459361
C 1.099700 0.788319 -1.258507
C -5.158063 -1.814946 -0.468413
C -7.104374 -0.892736 0.897754
C -7.281427 -3.197624 -0.192741
C -3.831982 -2.124035 -0.071425
C -5.377785 -1.188218 -1.722000
C -2.759750 -1.799265 -0.931885
C -4.291900 -0.872864 -2.567924
C -2.970298 -1.176433 -2.179506
C 1.320934 -3.122459 1.481688
C -0.886165 -2.564460 0.556797
H 4.825620 6.732425 -0.626881
H 5.650207 5.231972 -0.116455
H 4.793720 5.284809 -1.683079
H 2.347036 6.919120 -0.660333
H 2.216753 5.517135 -1.755484
H 1.276726 5.559548 -0.227594
H 2.494739 5.373438 2.046299
H 3.486033 6.782946 1.552586
H 4.276995 5.280820 2.110584
H 1.524076 3.446134 -1.076700
H 5.228558 3.389363 1.195407
H 5.160904 0.901369 1.200107
H -5.901461 -2.625925 1.371554
H 0.438173 1.520125 -1.752543
H 0.485573 0.211070 -0.542352
H 1.454694 0.071976 -2.021540
H -6.435873 -0.163783 1.389894
H -7.909232 -1.159506 1.607593
H -7.572998 -0.391662 0.030126
H -7.749927 -2.787198 -1.106621
H -8.091569 -3.470579 0.508543
H -6.740749 -4.119079 -0.473984
H -3.640816 -2.597154 0.893609
H -6.397793 -0.944434 -2.039996
H -4.470551 -0.389965 -3.534766
H -2.112313 -0.945844 -2.817975
H 2.182353 -3.742555 1.196353
H 0.749401 -3.545770 2.319261
H 0.912233 -2.468426 -0.488255


