%chk=000132544.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132544

0 1
 S   -1.979700      -1.656600       1.723100    
 O   0.4624000      -2.685400      0.1073000    
 O   -1.969000      -3.062300       2.107300    
 O   -2.748200     -0.7025000       2.511200    
 N   -2.511600      0.8869000      0.1209000    
 N    1.871600      -1.041700      0.9177000    
 N  -0.3616000      -1.102300       1.614100    
 N   -3.159100      -2.674200      -1.960400    
 C   -2.092300       2.114300     -0.5321000    
 C    3.061600      -1.454300      0.1948000    
 C  -0.6032000       2.014200     -0.8779000    
 C   -2.518000       3.299700      0.3398000    
 C   0.3566000       2.410900      0.2432000    
 C   -1.821200       4.619200      1.8500000E-02
 C    3.042000     -0.7993000      -1.189900    
 C    4.293900      -1.187300       1.065000    
 C   0.6452000       3.911100      0.2711000    
 C  -0.5007000       4.785600      0.7683000    
 C    4.382100     -0.7963000      -1.920400    
 C    4.863000      0.2283000      0.9760000    
 C    5.242300      0.4160000      -1.567800    
 C    5.856900      0.3947000     -0.1725000    
 C   -2.720300     -0.2986000     -0.5541000    
 C   -2.513000      -1.525500      6.6500001E-02
 C   0.6613000      -1.699400      0.8108000    
 C   -3.146700     -0.2581000      -1.876900    
 C   -2.744500      -2.673900     -0.6736000    
 C   -3.349900      -1.463100      -2.530100    
 H   -2.628600       2.259100      -1.475400    
 H    2.995100      -2.541600      5.7200000E-02
 H  -0.3565000      0.9922000      -1.193400    
 H  -0.4014000       2.639100      -1.757800    
 H   -3.600300       3.436800      0.2086000    
 H   -2.388200       3.068500       1.405600    
 H   1.1000000E-03   2.061500       1.218700    
 H    1.311900       1.903900      6.1200000E-02
 H   -1.680500       4.743600      -1.061200    
 H   -2.482900       5.433300      0.3411000    
 H    2.313100      -1.343000      -1.806300    
 H    2.655300      0.2262000      -1.129200    
 H    4.044300      -1.398100       2.113700    
 H    5.079500      -1.907000      0.8010000    
 H    1.508900       4.083300      0.9258000    
 H   0.9513000       4.246400     -0.7277000    
 H  -0.1858000       5.833400      0.6837000    
 H  -0.6589000       4.602500       1.838500    
 H    4.929400      -1.731000      -1.753100    
 H    4.175300     -0.7459000      -2.997000    
 H    4.066400      0.9786000      0.9182000    
 H    5.408300      0.4267000       1.907600    
 H    4.653600       1.333600      -1.691000    
 H    6.061000      0.4813000      -2.295600    
 H    6.615000     -0.3968000     -0.1217000    
 H    6.395700       1.339600     -2.7500000E-02
 H   -2.327400      0.8280000       1.116100    
 H    1.915500     -0.2032000       1.489200    
 H  -0.1373000     -0.2244000       2.098800    
 H   -3.354800      0.6535000      -2.421900    
 H   -2.603000      -3.667000     -0.2603000    
 H   -3.688300      -1.486700      -3.560800    


%chk=000132544-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132544

0 1
S -1.323827 -1.196157 1.576622
O 0.927021 -2.630333 0.064677
O -1.556419 -2.674844 2.177182
O -1.801246 0.110230 2.463101
N -2.543821 1.338135 0.084841
N 2.702879 -1.416323 0.990731
N 0.477009 -0.790112 1.443608
N -2.414976 -2.278329 -2.219721
C -3.039067 2.648889 -0.395674
C 3.756413 -2.198019 0.287596
C -1.953372 3.404166 -1.220118
C -3.581203 3.414169 0.842970
C -0.898366 4.186482 -0.397905
C -3.767907 4.941782 0.661684
C 3.985087 -1.612731 -1.135275
C 5.024494 -2.290232 1.178920
C -1.337752 5.633003 -0.053912
C -2.488118 5.760716 0.973042
C 5.266077 -2.104015 -1.856858
C 6.059881 -1.141729 1.043623
C 6.519375 -1.247328 -1.540144
C 7.079687 -1.369787 -0.102472
C -2.468990 0.198716 -0.671380
C -1.980518 -1.058310 -0.172621
C 1.361261 -1.686866 0.789926
C -2.896097 0.132553 -2.044527
C -1.971529 -2.242560 -0.931702
C -2.855561 -1.083835 -2.738367
H -3.897427 2.462154 -1.074444
H 3.334405 -3.213864 0.176160
H -1.450766 2.657176 -1.864573
H -2.459759 4.112202 -1.906718
H -4.539136 2.942702 1.134077
H -2.892387 3.254055 1.698260
H -0.641962 3.629174 0.526423
H 0.036775 4.243162 -0.988955
H -4.133882 5.172620 -0.359708
H -4.564582 5.276653 1.354072
H 3.086272 -1.857785 -1.731424
H 4.021945 -0.506111 -1.066069
H 4.685680 -2.386035 2.229364
H 5.542328 -3.240462 0.944690
H -0.464011 6.195884 0.332374
H -1.635622 6.134493 -0.998587
H -2.757521 6.832539 1.061855
H -2.119812 5.450077 1.972994
H 5.458348 -3.170745 -1.619830
H 5.091017 -2.062953 -2.949646
H 5.554759 -0.161806 0.909351
H 6.624724 -1.067226 1.993844
H 6.266875 -0.185160 -1.742114
H 7.329200 -1.512635 -2.249683
H 7.520264 -2.379835 0.031872
H 7.915710 -0.649731 0.007356
H -2.305810 1.239898 1.088667
H 2.993767 -0.585026 1.508678
H 0.755220 -0.175644 2.220227
H -3.267861 1.027803 -2.548245
H -1.583850 -3.171029 -0.503846
H -3.196613 -1.125375 -3.779266


