%chk=000171226.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171226

0 1
 S    2.606400     -1.7500000E-02   2.448900    
 S    4.062200       1.232600       1.704400    
 O   -2.628600      0.7348000      -1.225300    
 O  -7.1099997E-02  -2.072900      -1.117100    
 O   -2.598700      -1.799300     -0.4678000    
 O   -3.019400       1.088300       2.230500    
 O    2.280400       2.215800      -1.238600    
 O    3.151600      -2.711100      0.2650000    
 O    4.741000       3.052100     -0.5466000    
 O   -1.548200      -3.685300      0.3550000    
 N    1.591500      0.3362000     -6.7199998E-02
 N    4.056700     -0.6230000     -0.3205000    
 C  -0.2593000      -1.131900     -7.2700001E-02
 C   0.2160000      0.2598000     -0.5056000    
 C   -2.068000      0.5214000      7.8800000E-02
 C   -1.746500     -0.9685000      0.3052000    
 C  -0.7212000       1.228100      0.2092000    
 C   0.6452000      -1.481500       1.132200    
 C    1.946900     -0.7034000      0.8866000    
 C   -3.125200       1.059900       1.010800    
 C   -4.341700       1.516200      0.2471000    
 C   -3.713200       1.683400      -1.147600    
 C    2.535900       1.224600     -0.5610000    
 C    3.948700      0.8445000     -9.2900001E-02
 C    3.076100      -1.485700      0.2225000    
 C   -4.957000       2.779100      0.8417000    
 C   -5.367600      0.3760000      0.2539000    
 C   -3.178700       3.073100      -1.485200    
 C    4.994800       1.689700     -0.8267000    
 C    5.242600      -1.189700     -0.9493000    
 C   -2.392400      -3.149200     -0.3501000    
 C   -3.359200      -3.896900      -1.217400    
 H   0.1754000      0.4027000      -1.592200    
 H   -1.906000      -1.210900       1.364000    
 H  -0.4386000       1.361700       1.260600    
 H  -0.6882000       2.209400     -0.2713000    
 H   0.8147000      -2.558200       1.233600    
 H   0.1656000      -1.138200       2.057600    
 H   -4.430200       1.410400      -1.931000    
 H   7.4600004E-02  -2.951200     -0.7288000    
 H   -5.738100       3.182800      0.1887000    
 H   -5.411400       2.572600       1.817800    
 H   -4.207700       3.560300       1.009000    
 H   -6.249600      0.6413000     -0.3393000    
 H   -4.956300     -0.5506000     -0.1596000    
 H   -5.700900      0.1513000       1.273800    
 H   -2.502700       3.451500     -0.7131000    
 H   -2.606300       3.043400      -2.418700    
 H   -3.995400       3.791300      -1.606000    
 H    4.948400       1.548300      -1.912500    
 H    6.015400       1.457500     -0.5040000    
 H    5.349600     -0.7779000      -1.955800    
 H    5.166700      -2.277400      -1.027400    
 H    6.118200     -0.9438000     -0.3424000    
 H    3.956500       3.324800      -1.051000    
 H   -3.203900      -3.623400      -2.264000    
 H   -4.383100      -3.672500     -0.9083000    
 H   -3.189000      -4.971600      -1.108000    


%chk=000171226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171226

0 1
S 2.295160 -0.253690 2.294132
S 3.588741 1.557742 1.710247
O -2.673228 0.715101 -1.321877
O -0.372906 -1.932840 -1.772504
O -2.808610 -1.830149 -0.285019
O -2.887459 1.001075 2.257092
O 2.336474 2.134472 -1.536214
O 3.594969 -2.748383 0.119364
O 4.650925 3.208783 -0.447111
O -1.607076 -3.776565 0.144156
N 1.643768 0.175239 -0.461263
N 4.330109 -0.530721 -0.168640
C -0.287178 -1.231735 -0.498830
C 0.214411 0.211794 -0.805340
C -2.048614 0.497436 -0.013267
C -1.687751 -1.004375 0.199076
C -0.646209 1.162250 0.065495
C 0.794868 -1.873262 0.435380
C 1.992678 -0.905785 0.432806
C -3.058243 1.035736 1.017241
C -4.298657 1.568398 0.275931
C -3.767968 1.746196 -1.180603
C 2.576781 1.123908 -0.800468
C 3.950870 0.862275 -0.155283
C 3.358452 -1.511167 0.102129
C -4.872622 2.826932 0.956004
C -5.351006 0.412730 0.308462
C -3.236876 3.138206 -1.550824
C 5.016520 1.828467 -0.716375
C 5.751961 -0.937363 -0.172027
C -2.669192 -3.215441 -0.223269
C -3.940227 -3.900016 -0.663693
H 0.082221 0.436972 -1.874986
H -1.588475 -1.177147 1.288428
H -0.292346 1.173522 1.113767
H -0.652184 2.190988 -0.322321
H 1.129713 -2.852203 0.053471
H 0.411891 -2.042438 1.453783
H -4.526154 1.428105 -1.917760
H -0.456325 -2.903458 -1.581273
H -5.804950 3.147184 0.456946
H -5.101264 2.600658 2.012298
H -4.162203 3.670742 0.941541
H -6.269454 0.744141 -0.209922
H -4.963532 -0.489457 -0.195678
H -5.611272 0.157098 1.350875
H -2.502589 3.517431 -0.817617
H -2.746266 3.091189 -2.538029
H -4.065704 3.867013 -1.610723
H 5.125976 1.633069 -1.804966
H 5.982829 1.673816 -0.214457
H 6.257941 -0.612071 -1.096042
H 5.772388 -2.036630 -0.118078
H 6.275455 -0.521642 0.708251
H 3.781526 3.365068 -0.918038
H -4.169745 -3.626789 -1.708452
H -4.789720 -3.567373 -0.042698
H -3.822915 -4.989738 -0.581328


