%chk=000128635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128635

0 1
 S   -6.133800      -1.984400      0.3240000    
 N    4.697900     -7.6499999E-02  3.7900001E-02
 N  -0.8772000      0.3175000      0.5789000    
 N   -1.428500      0.1590000     -0.5356000    
 N   -6.980500      0.4332000      2.3100000E-02
 C    7.548300     -0.2461000     -0.3808000    
 C    6.959000      0.5997000      0.7412000    
 C    6.628800      -1.421100     -0.6919000    
 C    5.541500       1.064700      0.4113000    
 C    5.214800     -0.9504000      -1.024900    
 C    3.307600      2.2000000E-02  0.1726000    
 C    2.653300       1.262200      4.1200001E-02
 C    2.524100      -1.116600      0.4433000    
 C    1.268500       1.360300      0.1757000    
 C    1.139100      -1.018400      0.5776000    
 C   0.5114000      0.2200000      0.4438000    
 C   -2.823900      0.2568000     -0.3994000    
 C   -4.957900     -0.7661000     -1.6000000E-03
 C   -5.602300      0.4679000     -0.1322000    
 C   -3.565600     -0.8931000     -0.1320000    
 C   -3.436600       1.494500     -0.5341000    
 C   -4.823200       1.613700     -0.4030000    
 C   -7.364800     -0.7984000      0.2649000    
 H    7.682300      0.3689000      -1.278800    
 H    8.538000     -0.6146000     -8.9299999E-02
 H    6.941500      8.9999996E-03   1.665900    
 H    7.599200       1.469000      0.9280000    
 H    7.033800      -1.998000      -1.530700    
 H    6.594500      -2.093200      0.1749000    
 H    5.140200       1.573800       1.296400    
 H    5.572300       1.789900     -0.4113000    
 H    5.215000     -0.4010000      -1.974800    
 H    4.585900      -1.836800      -1.167200    
 H    3.208500       2.170100     -0.1816000    
 H    2.993000      -2.090500      0.5652000    
 H   0.7878000       2.329100      6.7400001E-02
 H   0.5580000      -1.912100      0.7902000    
 H   -3.082900      -1.860700     -2.7899999E-02
 H   -2.846700       2.383500     -0.7436000    
 H   -5.296100       2.585900     -0.5099000    
 H   -8.403800      -1.055100      0.4194000    


%chk=000128635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128635

0 1
S -6.219603 -1.886025 -0.562931
N 4.788136 -0.182499 -0.248733
N -0.900136 -0.342899 -0.117702
N -1.551674 0.759641 0.190639
N -7.206737 0.511757 0.182091
C 7.722138 -0.082651 0.008450
C 6.851993 1.182175 0.177883
C 6.908334 -1.332026 0.407676
C 5.541710 1.040001 -0.623583
C 5.576127 -1.429097 -0.373754
C 3.385891 -0.202243 -0.223993
C 2.636389 0.977549 0.121687
C 2.640376 -1.393498 -0.509530
C 1.241743 0.968560 0.170816
C 1.239331 -1.396138 -0.457259
C 0.509102 -0.222816 -0.123953
C -2.974770 0.625456 0.176877
C -5.066232 -0.540327 -0.157055
C -5.802575 0.640419 0.211454
C -3.667025 -0.567272 -0.179155
C -3.696541 1.803032 0.544006
C -5.098898 1.817843 0.565090
C -7.575365 -0.694047 -0.186468
H 8.044199 -0.169076 -1.050053
H 8.640576 -0.010597 0.619773
H 6.613083 1.332342 1.248477
H 7.393447 2.080794 -0.174090
H 7.490981 -2.255085 0.225441
H 6.681019 -1.291712 1.490637
H 4.908030 1.927550 -0.485969
H 5.790084 0.985208 -1.709395
H 5.786528 -1.647735 -1.446607
H 4.989572 -2.268731 0.031786
H 3.162120 1.898098 0.392298
H 3.152795 -2.310306 -0.812155
H 0.682849 1.867658 0.448467
H 0.673902 -2.303985 -0.693743
H -3.083566 -1.449311 -0.455813
H -3.114838 2.691791 0.807065
H -5.662498 2.712386 0.844513
H -8.609496 -1.026581 -0.280884


