%chk=000081126.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081126

0 1
 S  -0.8615000       2.692900      7.7000000E-02
 O  -0.9922000       3.089500      -1.311700    
 O  -0.7609000       3.693900       1.121300    
 O   -2.375200      0.5726000      -1.614100    
 O    4.185100      -1.675300      -1.601200    
 N   -3.697100     -0.1072000      0.1577000    
 N   -2.107400       1.590500      0.4709000    
 N    3.922700     -0.7776000      0.5631000    
 C   -3.779700      -2.482900     -0.4833000    
 C   -4.443600      -1.111500     -0.5482000    
 C   -3.648700      -3.005600      0.9491000    
 C   0.5640000       1.658100      0.2219000    
 C   -3.039100      -4.398500      0.9783000    
 C   -2.711300      0.6639000     -0.4372000    
 C    1.008200      0.9601000     -0.8878000    
 C    1.210000       1.565100       1.442300    
 C    2.796900      3.8199998E-02  0.4489000    
 C    2.133400      0.1437000     -0.7733000    
 C    2.335200      0.7489000       1.556900    
 C    4.529100      -1.559400     -0.4293000    
 C    5.732400      -2.299300      9.8999999E-02
 H   -2.785000      -2.433400     -0.9435000    
 H   -4.373300      -3.188700      -1.076700    
 H   -5.443100      -1.149200     -0.1021000    
 H   -4.555100     -0.8067000      -1.594600    
 H   -3.019900      -2.333800       1.544200    
 H   -4.635300      -3.035400       1.425700    
 H   -3.898600      4.0500000E-02   1.141900    
 H   -2.476300       1.628200       1.429600    
 H   -3.659400      -5.110200      0.4242000    
 H   -2.954400      -4.753600       2.010100    
 H   -2.037800      -4.397600      0.5359000    
 H   0.5024000       1.027000      -1.846100    
 H   0.8621000       2.103500       2.318500    
 H    2.429800     -0.3761000      -1.673700    
 H    2.841600      0.6747000       2.516000    
 H    4.349800     -0.8013000       1.486700    
 H    6.486100      -1.583400      0.4387000    
 H    6.162300      -2.920300     -0.6917000    
 H    5.436400      -2.942300      0.9327000    


%chk=000081126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081126

0 1
S -0.828738 2.589240 0.461318
O -1.059504 3.362890 -0.936968
O -0.842344 3.398831 1.875154
O -1.874535 0.206562 -1.225294
O 4.499385 -1.426947 -1.830645
N -3.815251 -0.156712 0.034080
N -2.191201 1.377320 0.777247
N 4.352351 -0.577517 0.354892
C -3.890647 -2.644226 -0.439151
C -4.318660 -1.219249 -0.859437
C -4.452209 -3.094249 0.928356
C 0.733474 1.550452 0.388112
C -4.029431 -4.532869 1.297277
C -2.596281 0.457387 -0.214047
C 1.096559 0.921879 -0.812693
C 1.508501 1.505543 1.559146
C 3.120790 0.128103 0.317056
C 2.307533 0.200707 -0.849464
C 2.713959 0.783690 1.514312
C 4.981549 -1.300401 -0.669578
C 6.315291 -1.928661 -0.273622
H -2.784543 -2.693698 -0.429514
H -4.233012 -3.348694 -1.224731
H -5.422781 -1.143780 -0.889022
H -3.931099 -0.997605 -1.868496
H -4.102976 -2.398671 1.718692
H -5.560138 -3.026668 0.911280
H -4.339610 0.062603 0.880951
H -2.790337 1.707559 1.543884
H -4.388302 -5.256824 0.541696
H -4.437837 -4.837020 2.278366
H -2.927836 -4.619276 1.346265
H 0.442857 0.976690 -1.686915
H 1.183724 2.034518 2.460327
H 2.628655 -0.307420 -1.759628
H 3.344597 0.733042 2.410509
H 4.844595 -0.550099 1.250603
H 7.114912 -1.495799 -0.899445
H 6.279227 -3.009113 -0.493241
H 6.581913 -1.789516 0.788466


