%chk=000154135.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154135

0 1
 S    1.156400      0.4544000       1.284300    
 S   -3.340200       1.033300      -1.075700    
 O   0.5304000     -0.7867000       1.698800    
 O    1.358600       1.531800       2.234200    
 O   -3.922900       1.011500      -2.404300    
 O   -4.006300       1.729900      9.1000004E-03
 O  -0.1477000       3.821700     -0.5391000    
 O   -1.059400       4.974600       1.732900    
 O    6.404100     -0.8914000      -1.044500    
 O   -2.554400      -4.562600      0.6104000    
 N   0.3575000       1.059200     -9.0599999E-02
 N   -1.722700       1.555700      -1.173400    
 N   -1.239500       3.606500       1.487500    
 C  -0.9674000       1.693300      9.7900003E-02
 C   0.2006000      0.1410000      -1.246000    
 C  -0.8259000      0.8403000      -2.125700    
 C  -0.7329000       3.142600      0.3019000    
 C    2.729000      5.1300000E-02  0.5865000    
 C   -3.104400     -0.6439000     -0.5705000    
 C    3.175700      -1.258200      0.6368000    
 C   -3.055100     -0.9425000      0.7804000    
 C    3.486500       1.052000      2.2000000E-03
 C   -2.973400      -1.628600      -1.534700    
 C    4.417100      -1.576600      8.6199999E-02
 C   -2.868900      -2.266100       1.179300    
 C    4.727900      0.7337000     -0.5485000    
 C   -2.787400      -2.952200      -1.135800    
 C    5.193300     -0.5806000     -0.5064000    
 C   -2.735200      -3.270900      0.2212000    
 C    6.818100      -2.254600     -0.9678000    
 C   -2.511500      -4.817900       2.013500    
 H   -1.486000       1.241900      0.9442000    
 H    1.140300      6.2000002E-03  -1.787400    
 H  -0.1678000     -0.8337000     -0.9137000    
 H   -1.333200      0.1615000      -2.811300    
 H  -0.3374000       1.605700      -2.741600    
 H   -1.797700       3.085000       2.154100    
 H    2.591400      -2.050500       1.093800    
 H   -3.167900     -0.1796000       1.544100    
 H    3.135400       2.079100     -3.5300002E-02
 H   -3.021200      -1.407400      -2.596100    
 H    4.717700      -2.616600      0.1533000    
 H   -2.839600      -2.443600       2.248900    
 H    5.328000       1.513900      -1.008900    
 H   -2.685800      -3.731200      -1.886600    
 H   -1.900700       5.185000       2.172300    
 H    6.943100      -2.579400      7.0699997E-02
 H    7.802000      -2.320900      -1.443900    
 H    6.146000      -2.911600      -1.530300    
 H   -1.660100      -4.317900       2.487600    
 H   -2.361400      -5.894900       2.141700    
 H   -3.461800      -4.567900       2.497300    


%chk=000154135-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154135

0 1
S 0.931481 -0.586739 0.521648
S -3.371919 1.159966 0.281917
O 0.547813 -2.085657 -0.016082
O 0.377041 -0.111545 1.989759
O -4.649815 1.671958 -0.577795
O -2.997541 1.727895 1.757831
O 1.305923 3.382421 0.222165
O -0.169410 5.480341 -0.643171
O 6.918109 0.081754 0.288360
O -3.688592 -4.869205 0.300979
N 0.309079 0.754582 -0.759278
N -1.872252 1.790403 -0.784108
N -0.688940 4.146111 -0.614088
C -0.573900 1.761887 -0.076307
C -0.489140 0.097329 -1.858629
C -1.689376 1.059229 -2.075740
C 0.105112 3.146869 -0.150257
C 2.782452 -0.382090 0.408661
C -3.436162 -0.712432 0.319429
C 3.539554 -1.547811 0.217341
C -2.609887 -1.397583 1.224871
C 3.340947 0.905789 0.543611
C -4.338966 -1.356236 -0.553639
C 4.945413 -1.431578 0.171477
C -2.670308 -2.805838 1.244526
C 4.741078 1.008990 0.493476
C -4.397135 -2.758458 -0.522216
C 5.543479 -0.151319 0.315153
C -3.558273 -3.484345 0.368676
C 7.810111 -1.069830 0.106537
C -2.830261 -5.684846 1.172255
H -0.702226 1.528023 1.008585
H 0.139688 0.015109 -2.759932
H -0.811577 -0.920482 -1.559999
H -2.620866 0.543986 -2.366362
H -1.461481 1.807386 -2.856122
H -1.677012 4.054872 -0.859977
H 3.045030 -2.517144 0.100706
H -1.927439 -0.863409 1.895732
H 2.711847 1.799423 0.644038
H -4.990782 -0.769491 -1.208689
H 5.551000 -2.330042 0.026077
H -2.012509 -3.350305 1.925810
H 5.234395 1.980547 0.584774
H -5.080915 -3.313798 -1.170221
H 0.765088 5.344096 -0.285679
H 7.695669 -1.798327 0.931864
H 8.825008 -0.647910 0.121224
H 7.626039 -1.568559 -0.864246
H -1.760651 -5.501898 0.957951
H -3.089167 -6.725416 0.930683
H -3.041553 -5.483573 2.239423


