%chk=000113985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113985

0 1
 S    5.783500     -0.4166000      0.7694000    
 S   -6.511800     -7.8100003E-02  0.9014000    
 N    6.756900      -2.853100       1.018400    
 N   -8.734400     -0.1397000     -0.5136000    
 N    6.539800      -2.052800      -1.193100    
 N   -7.491100      -2.147200     -0.4627000    
 C    1.122100       1.623200      0.4042000    
 C  -4.6000000E-02  0.9599000     -0.3291000    
 C    2.414800       1.522000     -0.4082000    
 C   -1.346400       1.087500      0.4662000    
 C    3.637200       2.089800      0.3195000    
 C   -2.508200      0.3959000     -0.2515000    
 C    4.971900       1.976300     -0.4288000    
 C   -3.798400      0.4858000      0.5701000    
 C    5.459100      0.5584000     -0.7288000    
 C   -4.996500     -0.1911000     -9.4499998E-02
 C    6.421300      -1.910000      8.8299997E-02
 C   -7.673900     -0.9101000     -0.1273000    
 H   0.8924000       2.678500      0.5941000    
 H    1.262300       1.141500       1.379400    
 H  -0.1730000       1.423100      -1.315100    
 H   0.1809000     -0.1001000     -0.4963000    
 H    2.289200       2.045100      -1.364000    
 H    2.593400      0.4669000     -0.6451000    
 H   -1.212200      0.6421000       1.459500    
 H   -1.584700       2.147400      0.6164000    
 H    3.723300       1.618300       1.305300    
 H    3.453500       3.154500      0.5148000    
 H   -2.260900     -0.6582000     -0.4256000    
 H   -2.664800      0.8588000      -1.233100    
 H    4.879200       2.514000      -1.381000    
 H    5.740900       2.509200      0.1454000    
 H   -3.623000      2.9400000E-02   1.552900    
 H   -4.030900       1.543900      0.7470000    
 H    4.731800      3.1300001E-02  -1.353900    
 H    6.391300      0.6332000      -1.299800    
 H   -4.763800      -1.246800     -0.2683000    
 H   -5.188700      0.2711000      -1.068800    
 H    6.637700      -2.679300       2.010500    
 H    7.133200      -3.754600      0.7458000    
 H   -8.819100      0.8267000     -0.2176000    
 H   -9.466600     -0.5115000      -1.108600    
 H    6.925100      -2.983400      -1.387900    
 H   -6.626500      -2.488200     -2.9899999E-02


%chk=000113985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113985

0 1
S 5.713857 -1.415272 0.266911
S -6.837991 0.352890 0.988134
N 8.082664 -1.822946 1.462851
N -9.435315 0.279446 0.263144
N 8.151137 -0.401484 -0.514517
N -8.105352 -0.792189 -1.341311
C 1.063538 1.026357 0.311006
C -0.232143 0.594801 -0.412278
C 2.334664 0.846306 -0.549548
C -1.503735 0.798864 0.441631
C 3.628033 1.249682 0.196265
C -2.795905 0.337336 -0.270110
C 4.909645 1.179752 -0.666178
C -4.062855 0.560445 0.590369
C 5.307686 -0.224346 -1.150739
C -5.333829 0.073451 -0.126465
C 7.548060 -1.140607 0.373045
C -8.208260 -0.142726 -0.217734
H 0.977176 2.090271 0.616651
H 1.171645 0.442136 1.248818
H -0.330539 1.165100 -1.359812
H -0.151070 -0.474392 -0.700177
H 2.240083 1.453217 -1.474937
H 2.399536 -0.212027 -0.875339
H -1.395486 0.245763 1.397954
H -1.595795 1.871682 0.711062
H 3.757836 0.603006 1.087968
H 3.513046 2.286387 0.574078
H -2.706684 -0.738833 -0.526788
H -2.899729 0.882280 -1.231425
H 4.773935 1.812854 -1.569847
H 5.765528 1.606116 -0.109539
H -3.951313 0.025380 1.554298
H -4.162018 1.637063 0.830728
H 4.512133 -0.727058 -1.724820
H 6.241505 -0.186663 -1.738796
H -5.264765 -1.007575 -0.344896
H -5.503084 0.629245 -1.065275
H 7.484194 -2.340332 2.104564
H 9.086921 -1.819666 1.628925
H -9.509136 0.927292 1.042397
H -10.265609 0.015007 -0.263775
H 9.174473 -0.291431 -0.393511
H -7.166779 -1.141584 -1.586983


