%chk=000077356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077356

0 1
 S   -6.071600      -1.004700      4.1999999E-02
 S   -7.638200      0.3851000       0.000000    
 O   -8.985800     -0.5313000      3.3799998E-02
 O   -7.581100       1.140800       1.236500    
 O   -7.587500       1.057000      -1.284300    
 N   -2.164800      8.9599997E-02 -3.7000000E-03
 C    4.170800     -0.5230000      1.5100000E-02
 C    2.867400      0.2781000     -3.2699998E-02
 C    5.423800      0.3590000      4.1400000E-02
 C    1.615800     -0.6057000     -7.1400002E-02
 C    6.762300     -0.3858000      6.7000002E-02
 C   0.3093000      0.1951000     -3.8699999E-02
 C    7.977500      0.5433000      3.5700001E-02
 C  -0.9358000     -0.6945000     -1.7000001E-02
 C    9.281400     -0.2532000     -2.7700000E-02
 C   -3.334200     -0.7777000      2.7500000E-02
 C    10.49450      0.6635000     -2.6400000E-02
 C   -4.603700      6.4499997E-02  2.7999999E-03
 H    4.168800      -1.167400      0.9027000    
 H    4.218700      -1.185800     -0.8575000    
 H    2.818900      0.9332000      0.8459000    
 H    2.873400      0.9303000     -0.9144000    
 H    5.372600       1.018000      0.9175000    
 H    5.405700       1.014200     -0.8389000    
 H    1.638900      -1.226600     -0.9753000    
 H    1.635900      -1.290900      0.7850000    
 H    6.803300      -1.063300     -0.7949000    
 H    6.805800      -1.014000      0.9651000    
 H   0.2748000      0.8552000     -0.9147000    
 H   0.3066000      0.8429000      0.8472000    
 H    7.972400       1.180400      0.9282000    
 H    7.911200       1.206200     -0.8355000    
 H  -0.9184000      -1.349700     -0.8968000    
 H  -0.8941000      -1.334200      0.8731000    
 H    9.297400     -0.8708000     -0.9332000    
 H    9.344600     -0.9328000      0.8301000    
 H   -2.198200      0.6884000     -0.8283000    
 H   -3.314000      -1.389300      0.9382000    
 H   -3.321500      -1.453400     -0.8372000    
 H    10.52600       1.271500      0.8834000    
 H    11.41540      7.3700003E-02 -7.2999999E-02
 H    10.47820       1.336800     -0.8894000    
 H   -4.637100      0.7361000      0.8674000    
 H   -4.643700      0.6768000     -0.9046000    
 H   -9.836100     -3.2200001E-02  1.8200001E-02


%chk=000077356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077356

0 1
S -6.500847 -0.179927 -1.034294
S -6.460298 0.465207 1.352532
O -5.844357 -1.184636 1.990456
O -5.275220 1.550221 1.578919
O -7.915000 0.740520 1.998871
N -2.360832 -0.025554 -1.243713
C 3.906461 -0.504132 0.024911
C 2.629302 0.238098 -0.429006
C 5.174967 0.376989 -0.031698
C 1.349439 -0.620999 -0.318227
C 6.464033 -0.377296 0.366018
C 0.091219 0.106732 -0.841881
C 7.725693 0.515159 0.344577
C -1.195845 -0.723865 -0.670571
C 9.020058 -0.244453 0.716028
C -3.692361 -0.606063 -1.026122
C 10.272539 0.658719 0.703916
C -4.761592 0.455689 -1.336283
H 3.766613 -0.877697 1.060933
H 4.054459 -1.401640 -0.611605
H 2.504179 1.159035 0.177623
H 2.756902 0.573392 -1.479764
H 5.041530 1.253012 0.636926
H 5.292668 0.785039 -1.057602
H 1.492320 -1.566973 -0.881360
H 1.195014 -0.909594 0.742293
H 6.611709 -1.237098 -0.320671
H 6.338512 -0.808887 1.381272
H 0.234213 0.347631 -1.917302
H -0.037811 1.072330 -0.315918
H 7.586523 1.364383 1.045994
H 7.842620 0.962724 -0.664858
H -1.046627 -1.735864 -1.123667
H -1.395838 -0.886837 0.406566
H 9.162464 -1.087235 0.009078
H 8.899677 -0.698901 1.720802
H -2.201566 0.318020 -2.199498
H -3.772226 -0.905566 0.035084
H -3.893151 -1.520341 -1.636468
H 10.165165 1.492767 1.423030
H 11.183909 0.094210 0.974383
H 10.432884 1.099927 -0.298095
H -4.605965 1.366612 -0.725324
H -4.751727 0.752264 -2.403159
H -5.978210 -1.191720 2.985075


