%chk=000129069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129069

0 1
 S   0.8576000      0.2611000      0.9301000    
 O   1.2600000E-02  -3.284700      -1.544800    
 O   -3.040700      -2.047600       1.001300    
 O    4.039800      -1.453900       1.383000    
 N  -0.4499000      -1.889200      0.3016000    
 N    2.645300      -1.847100     -0.4299000    
 N   -3.597200     -0.8904000     -0.9404000    
 N   -6.626200       2.106200      1.4200000E-02
 C   0.6693000      -1.541700       1.182300    
 C   -1.339700     -0.8396000     -0.1521000    
 C  -0.9691000      0.4470000      0.6166000    
 C    1.548600      -2.456000      0.3183000    
 C   0.2745000      -2.712500     -0.5111000    
 C   -1.667900      0.6014000       1.974200    
 C   -1.202600       1.694100     -0.2380000    
 C   -2.738500      -1.327000      5.3800002E-02
 C    3.817400      -1.390200      0.1766000    
 C   -4.998300      -1.241400     -0.9850000    
 C    4.788600     -0.8013000     -0.8277000    
 C   -5.876500     -0.2424000     -0.2340000    
 C   -5.778100       1.197100     -0.7473000    
 C    5.116700      0.6443000     -0.5629000    
 C    4.341900       1.652000      -1.137600    
 C    6.195000      0.9761000      0.2574000    
 C   -6.876600       3.333900     -0.7430000    
 C   -6.013800       2.422700       1.305900    
 C    4.645500       2.991100     -0.8923000    
 C    6.498600       2.315300      0.5028000    
 C    5.723800       3.322700     -7.2099999E-02
 H   0.5125000      -1.863900       2.215700    
 H   -1.152100     -0.7126000      -1.227500    
 H    1.881700      -3.362700      0.8388000    
 H   -1.288800       1.472400       2.522300    
 H   -2.745600      0.7555000       1.844900    
 H   -1.536400     -0.2779000       2.614400    
 H  -0.8663000       2.603000      0.2744000    
 H  -0.6762000       1.636400      -1.197800    
 H   -2.268300       1.820400     -0.4574000    
 H    2.558800      -1.745300      -1.438200    
 H   -3.243400     -0.2853000      -1.675600    
 H   -5.129700      -2.242400     -0.5599000    
 H   -5.287600      -1.281500      -2.040400    
 H    4.416000     -0.9065000      -1.853700    
 H    5.703200      -1.406900     -0.7900000    
 H   -6.918800     -0.5799000     -0.2967000    
 H   -5.595700     -0.2864000      0.8245000    
 H   -4.737800       1.544600     -0.7558000    
 H   -6.103500       1.178100      -1.796200    
 H    3.497600       1.405700      -1.776200    
 H    6.805100      0.2004000      0.7125000    
 H   -7.535400       4.005600     -0.1812000    
 H   -5.950200       3.872300     -0.9742000    
 H   -7.391200       3.109700      -1.684000    
 H   -5.025500       2.884200       1.195300    
 H   -6.649600       3.117300       1.867400    
 H   -5.912900       1.534700       1.936900    
 H    4.041700       3.775500      -1.339000    
 H    7.337800       2.573800       1.142000    
 H    5.959800       4.365400      0.1193000    


%chk=000129069-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129069

0 1
S 0.697197 0.990561 -0.002129
O 0.364959 -2.768124 -2.042195
O -2.806362 -1.539770 1.431900
O 4.437673 -2.564260 0.445311
N -0.352570 -1.460354 -0.123283
N 2.926052 -1.204094 -0.691227
N -3.948706 -1.176599 -0.564055
N -7.103975 1.876699 0.378851
C 0.725643 -0.800619 0.649530
C -1.535464 -0.692239 -0.513357
C -1.243923 0.854991 -0.226862
C 1.762300 -1.762439 -0.052683
C 0.543584 -2.165335 -0.969970
C -1.898171 1.379446 1.069212
C -1.641750 1.716923 -1.441457
C -2.807999 -1.186006 0.217107
C 4.213255 -1.646162 -0.397105
C -5.269892 -1.540736 -0.010984
C 5.335076 -0.910028 -1.143926
C -5.979889 -0.361692 0.694321
C -6.333607 0.789849 -0.267664
C 5.762856 0.363621 -0.412410
C 5.663588 1.630630 -1.039008
C 6.265968 0.289719 0.912865
C -7.689848 2.799905 -0.615227
C -6.337274 2.603639 1.411353
C 6.061813 2.804712 -0.358108
C 6.661465 1.461314 1.593933
C 6.561663 2.723307 0.961110
H 0.637314 -0.820725 1.742803
H -1.659175 -0.828719 -1.607219
H 2.101900 -2.580098 0.606718
H -1.565064 2.413553 1.259745
H -3.001646 1.383186 0.972255
H -1.639048 0.756177 1.940077
H -1.387484 2.778125 -1.273266
H -1.134541 1.381164 -2.362757
H -2.737606 1.661557 -1.597738
H 2.791403 -0.425581 -1.340750
H -3.876446 -0.927654 -1.551469
H -5.107615 -2.354056 0.717944
H -5.891725 -1.933611 -0.837023
H 5.019852 -0.668423 -2.175544
H 6.179506 -1.618300 -1.204855
H -6.913529 -0.733156 1.157730
H -5.326129 -0.013479 1.514088
H -5.390247 1.184147 -0.740207
H -6.958495 0.385568 -1.089547
H 5.283107 1.700745 -2.066041
H 6.337682 -0.687129 1.405607
H -8.328204 3.541156 -0.102436
H -6.922904 3.360192 -1.210503
H -8.324457 2.234629 -1.321041
H -5.410124 3.089957 1.007442
H -6.972399 3.393681 1.849181
H -6.040599 1.923728 2.226941
H 5.983010 3.777499 -0.856609
H 7.048363 1.391130 2.616837
H 6.870937 3.631577 1.490291


