%chk=000094975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094975

0 1
 S   8.1100002E-02  -2.444900      0.8926000    
 O   6.1200000E-02   1.891200      -2.389900    
 N   1.4400000E-02  0.3799000     -0.6141000    
 N   -4.977400      -2.236900      0.1985000    
 N    5.123500      -1.995600      0.2085000    
 C   -1.228300     -0.3230000     -0.3833000    
 C    1.289000     -0.2591000     -0.3823000    
 C   -1.312500      -1.561100      0.2663000    
 C    1.428400      -1.510500      0.2342000    
 C   -2.438800      0.2353000     -0.8594000    
 C    2.481000      0.4089000     -0.7496000    
 C   -3.738700      -1.596400      5.0000002E-04
 C    3.857200      -1.409500      1.8500000E-02
 C   -2.564000      -2.181200      0.4599000    
 C    2.706200      -2.077200      0.4204000    
 C  -1.5799999E-02   1.667500      -1.182800    
 C   -3.674900     -0.3864000     -0.6668000    
 C    3.744200     -0.1584000     -0.5605000    
 C  -0.1076000       2.818800     -0.2337000    
 C   -6.195400      -1.460100      0.3277000    
 C   -5.055800      -3.683900      0.2620000    
 C    6.292000      -1.166200      0.4329000    
 C    5.276200      -3.438000      0.1964000    
 C  -0.1578000       2.576500       1.132400    
 C  -0.1408000       4.114400     -0.7309000    
 C  -0.2432000       3.650700       2.018100    
 C  -0.2261000       5.188500      0.1550000    
 C  -0.2773000       4.956600       1.529400    
 H   -2.450400       1.181300      -1.396500    
 H    2.457700       1.391500      -1.215200    
 H   -2.602600      -3.132700      0.9881000    
 H    2.785500      -3.046500      0.9105000    
 H   -4.561000      0.1002000      -1.064000    
 H    4.612700      0.4038000     -0.8916000    
 H   -6.990500      -2.047700      0.8002000    
 H   -6.559000      -1.143000     -0.6553000    
 H   -6.041800     -0.5755000      0.9561000    
 H   -4.421700      -4.153900     -0.4982000    
 H   -6.078300      -4.032600      7.8199998E-02
 H   -4.758100      -4.045300       1.252000    
 H    7.108300      -1.745200      0.8792000    
 H    6.073200     -0.3449000       1.124700    
 H    6.660300     -0.7517000     -0.5114000    
 H    4.986300      -3.866600       1.161400    
 H    6.317500      -3.722800      8.3999997E-03
 H    4.676300      -3.898700     -0.5966000    
 H  -0.1308000       1.579900       1.560100    
 H  -0.1026000       4.318900      -1.797000    
 H  -0.2822000       3.470800       3.088600    
 H  -0.2527000       6.205500     -0.2252000    
 H  -0.3435000       5.792900       2.219100    


%chk=000094975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094975

0 1
S 0.494734 -1.504579 1.872096
O 1.709162 2.799872 -0.570997
N 0.569108 0.804778 -0.087994
N -4.459908 -1.911555 0.102719
N 5.153358 -2.621836 -0.307559
C -0.708999 0.128902 -0.055454
C 1.745079 -0.039621 -0.190598
C -0.901677 -0.981669 0.799404
C 1.842031 -1.169526 0.658270
C -1.775553 0.505276 -0.905342
C 2.799776 0.192917 -1.105439
C -3.227473 -1.252523 0.041207
C 4.033688 -1.782550 -0.274923
C -2.124576 -1.672855 0.850614
C 2.946849 -2.037368 0.619426
C 0.676011 2.215209 -0.118454
C -3.016604 -0.150092 -0.849510
C 3.925625 -0.648383 -1.140507
C -0.456842 3.026085 0.460040
C -5.562020 -1.487884 -0.768752
C -4.637870 -3.051378 1.008955
C 6.244549 -2.349640 -1.249547
C 5.234396 -3.772718 0.597345
C -1.158368 2.636441 1.630521
C -0.722140 4.292472 -0.120880
C -2.124661 3.495821 2.195744
C -1.701090 5.142890 0.434875
C -2.407695 4.745319 1.594622
H -1.632609 1.336923 -1.602696
H 2.747449 1.062213 -1.762252
H -2.208993 -2.543870 1.504989
H 2.952409 -2.909669 1.277592
H -3.817795 0.189041 -1.510587
H 4.723759 -0.415696 -1.850104
H -6.445830 -2.115060 -0.571991
H -5.305372 -1.589624 -1.843587
H -5.847556 -0.431894 -0.585563
H -3.964608 -3.896252 0.753304
H -5.675542 -3.414607 0.942765
H -4.443794 -2.769318 2.063883
H 7.030726 -3.111807 -1.129218
H 6.704243 -1.355576 -1.072336
H 5.899340 -2.381020 -2.303605
H 5.182658 -3.463895 1.661837
H 6.192505 -4.294033 0.443734
H 4.418120 -4.502795 0.415479
H -0.935365 1.675978 2.105546
H -0.138124 4.600864 -0.994436
H -2.653349 3.192896 3.106428
H -1.905430 6.115516 -0.026538
H -3.163134 5.407479 2.033075


