%chk=000026430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026430

0 1
 S   -1.412400       1.790700       1.790600    
 S    4.276800       2.031600      -1.029100    
 N  -0.6036000      0.1690000     -0.7351000    
 N   0.8976000      -3.429900       1.092400    
 C   0.6796000      -1.960600     -0.9034000    
 C  -0.1733000     -0.9090000      -1.634800    
 C   6.0999999E-03  -2.541000      0.3549000    
 C    1.085600      -3.097900      -1.847800    
 C   0.4024000       1.010800     -0.1967000    
 C   -1.997100      0.3283000     -0.5269000    
 C   0.1493000       1.813700      0.9330000    
 C   -2.487800       1.063500      0.5704000    
 C    1.683600       1.113200     -0.7816000    
 C   -2.952400     -0.2053000      -1.419400    
 C   0.2353000      -3.942500       2.292800    
 C    2.134900      -2.735600       1.451800    
 C    1.148000       2.653300       1.457800    
 C   -3.870700       1.225100      0.7679000    
 C    2.670900       1.953000     -0.2590000    
 C   -4.325500     -3.7400000E-02  -1.221100    
 C    2.403800       2.721600      0.8638000    
 C   -4.785200      0.6759000     -0.1247000    
 C    4.834100      0.3095000     -0.8958000    
 H    1.607500      -1.460500     -0.6202000    
 H   0.3446000     -0.5047000      -2.513400    
 H  -0.9931000      -1.487800      -2.062300    
 H  -0.8941000      -3.090600      5.0200000E-02
 H  -0.3276000      -1.729700       1.013200    
 H    1.807200      -3.780500      -1.388900    
 H    1.554900      -2.694100      -2.751700    
 H   0.2136000      -3.683600      -2.158500    
 H    1.926200      0.5587000      -1.684100    
 H   -2.683400     -0.7161000      -2.337900    
 H   0.8796000      -4.661100       2.811500    
 H  -0.6809000      -4.481300       2.026300    
 H  -2.6300000E-02  -3.142800       2.995300    
 H    2.801600      -2.604500      0.5944000    
 H    2.716100      -3.338100       2.161200    
 H    1.950300      -1.762900       1.922800    
 H   0.9567000       3.264500       2.337700    
 H   -4.250700       1.783500       1.621200    
 H   -5.031400     -0.4532000      -1.934500    
 H    3.156100       3.379500       1.290800    
 H   -5.850900      0.8105000      3.3199999E-02
 H    4.210800     -0.3487000      -1.506600    
 H    4.799800     -2.2000000E-02  0.1456000    
 H    5.865300      0.2383000      -1.251700    


%chk=000026430-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026430

0 1
S -1.297012 1.443305 1.998791
S 4.104348 2.148430 -1.533298
N -0.673518 0.017933 -0.630315
N 1.099197 -3.476306 1.274425
C 0.717593 -2.094419 -0.801427
C -0.309892 -1.145645 -1.476000
C 0.084670 -2.802041 0.424115
C 1.244590 -3.124221 -1.823338
C 0.349370 0.924804 -0.221537
C -2.046034 0.401564 -0.506528
C 0.180049 1.721832 0.946067
C -2.490495 1.117589 0.639792
C 1.547063 1.080933 -0.969376
C -3.000776 0.105796 -1.517635
C 0.534588 -4.598570 2.052519
C 1.828449 -2.530465 2.146964
C 1.160477 2.652356 1.339207
C -3.832731 1.520644 0.777219
C 2.555907 1.971008 -0.539216
C -4.355318 0.472694 -1.362281
C 2.368385 2.768353 0.611195
C -4.779888 1.181400 -0.216732
C 4.940036 0.503402 -1.107827
H 1.574797 -1.491118 -0.447432
H 0.069757 -0.825852 -2.470392
H -1.234245 -1.721097 -1.658275
H -0.617510 -3.576418 0.054853
H -0.517294 -2.065538 1.012148
H 1.882316 -3.858915 -1.302031
H 1.840467 -2.644866 -2.623178
H 0.410579 -3.672768 -2.304178
H 1.690384 0.520934 -1.897704
H -2.684310 -0.394721 -2.437569
H 1.345324 -5.113988 2.599226
H 0.065716 -5.329247 1.369498
H -0.234662 -4.281514 2.802345
H 2.294974 -1.731364 1.545724
H 2.633557 -3.065780 2.681823
H 1.167095 -2.042075 2.906751
H 0.993291 3.267682 2.229340
H -4.136840 2.084143 1.665712
H -5.073068 0.220507 -2.150475
H 3.150608 3.461979 0.932313
H -5.827533 1.475924 -0.098864
H 4.289373 -0.337520 -1.394366
H 5.168262 0.463986 -0.032059
H 5.871804 0.470053 -1.694396


