%chk=000155122.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155122

0 1
 S   -1.585100      0.4037000      0.4679000    
 N   -2.205300      -1.358400      -1.318900    
 C    1.099700     -3.8899999E-02 -7.5000003E-02
 C    2.240100     -0.8282000     -0.9233000    
 C    1.648700     -0.4072000       1.410200    
 C    1.237800       1.536900     -0.3246000    
 C  -0.3067000     -0.3728000     -0.3712000    
 C    1.950800      -2.097000      -1.211000    
 C    2.885600      1.3700000E-02   1.673800    
 C    1.102400       1.944200      -1.597500    
 C    3.319400     -0.1061000      -1.223800    
 C   0.7921000      -1.082800       2.176000    
 C    1.473800       2.286000      0.7652000    
 C  -0.8274000      -1.272300      -1.277600    
 C   -2.711200     -0.5199000     -0.4409000    
 C    2.929100      -2.774300      -1.939000    
 C    3.356700     -0.3020000       2.948200    
 C    1.222500       3.316700      -1.815000    
 C    4.297600     -0.7833000      -1.951900    
 C    1.263300      -1.398400       3.450500    
 C    1.593600       3.658600      0.5477000    
 C    4.102300      -2.117500      -2.309500    
 C    2.545600      -1.007900       3.836500    
 C    1.467900       4.173800     -0.7424000    
 C   -4.119800     -0.3288000     -0.1953000    
 C   -5.033500      -1.310700     -0.5788000    
 C   -4.568700      0.8374000      0.4246000    
 C   -6.395800      -1.126300     -0.3428000    
 C   -5.931100       1.021800      0.6607000    
 C   -6.844500      3.9900001E-02  0.2770000    
 H    1.128900      -2.677300     -0.8180000    
 H    3.550200      0.6023000       1.064800    
 H   0.9042000       1.284700      -2.433900    
 H    3.524700      0.9281000     -0.9899000    
 H  -0.1802000      -1.460200       1.902500    
 H    1.473100       1.977200       1.799800    
 H  -0.3102000      -1.859200      -2.020200    
 H    2.792800      -3.822700      -2.188400    
 H    4.351100      1.0800000E-02   3.253900    
 H    1.121600       3.718200      -2.819100    
 H    5.211200     -0.2724000      -2.242100    
 H   0.6375000      -1.960200       4.138000    
 H    1.759800       4.330000       1.385300    
 H    4.867300      -2.646800      -2.870000    
 H    2.912600      -1.254300       4.828500    
 H    1.555000       5.243200     -0.9109000    
 H   -4.708000      -2.229400      -1.060700    
 H   -3.914800       1.651100      0.7231000    
 H   -7.107300      -1.890700     -0.6410000    
 H   -6.282200       1.932200       1.137700    
 H   -7.905300      0.1841000      0.4597000    


%chk=000155122-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155122

0 1
S -1.553854 0.552382 0.602481
N -2.119361 -1.295540 -1.234211
C 1.267715 0.037381 0.069844
C 2.199651 -0.767064 -0.898858
C 1.721746 -0.357518 1.509723
C 1.361153 1.580154 -0.172028
C -0.193275 -0.338542 -0.217058
C 2.241331 -2.183161 -0.776560
C 3.087915 -0.173587 1.859964
C 0.921787 2.096920 -1.422070
C 3.059029 -0.152832 -1.840828
C 0.859652 -0.938363 2.469549
C 1.799782 2.497154 0.812689
C -0.729396 -1.232738 -1.135664
C -2.731646 -0.449838 -0.411806
C 3.091105 -2.960701 -1.588737
C 3.568935 -0.533537 3.134493
C 0.941699 3.480346 -1.686914
C 3.919582 -0.930575 -2.652249
C 1.340771 -1.306202 3.749442
C 1.816008 3.888246 0.551408
C 3.936093 -2.336733 -2.537210
C 2.693818 -1.100444 4.091905
C 1.393602 4.387502 -0.698802
C -4.184894 -0.294431 -0.279072
C -5.038391 -1.121588 -1.064715
C -4.767254 0.654242 0.605686
C -6.437645 -0.998720 -0.962380
C -6.168783 0.772735 0.704119
C -7.010506 -0.052496 -0.078332
H 1.617808 -2.675530 -0.021589
H 3.782483 0.237204 1.118176
H 0.542530 1.407046 -2.184710
H 3.072632 0.935693 -1.942938
H -0.191285 -1.118266 2.227240
H 2.116652 2.136436 1.794930
H -0.132315 -1.872287 -1.784320
H 3.101301 -4.050538 -1.474961
H 4.626393 -0.380397 3.377911
H 0.595662 3.851711 -2.658131
H 4.578517 -0.430481 -3.371174
H 0.653142 -1.757148 4.473954
H 2.153890 4.578647 1.332595
H 4.602007 -2.937501 -3.166633
H 3.065266 -1.385689 5.082486
H 1.404329 5.464756 -0.898808
H -4.579031 -1.847396 -1.742778
H -4.125713 1.301603 1.215823
H -7.084526 -1.640318 -1.570920
H -6.604874 1.507845 1.389305
H -8.099339 0.040760 -0.000364


