%chk=000156504.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156504

0 1
 S    4.378800     -5.9099998E-02  -2.052300    
 O    3.085100      -1.467600       1.917000    
 O    7.704100     -0.4884000       1.303700    
 O    6.700200      -2.533700       1.236900    
 O   0.1540000      -1.088600      0.9267000    
 O   -2.532900       1.674000      -2.169800    
 O   -3.395700      -1.601500      0.1469000    
 N    4.530400      -1.565800      5.3599998E-02
 N    1.628900     -0.5819000     -0.7910000    
 N   -1.722800      0.4928000     -0.3301000    
 N   -6.405200      0.9106000     -0.8698000    
 N   -5.918100      -2.368400      0.7459000    
 C    3.915300      -1.649300      -1.274400    
 C    5.977100     -1.3300000E-02  -1.096700    
 C    5.599000     -0.6127000      0.2749000    
 C    2.553200      -1.702700     -0.5689000    
 C    3.354100      -1.603600      0.7449000    
 C    6.435300       1.440100     -0.9631000    
 C    7.019000     -0.8233000      -1.880300    
 C    6.699400      -1.338900      0.9805000    
 C   0.4900000     -0.3677000     -1.1100000E-02
 C  -0.3280000      0.8303000     -0.4755000    
 C   3.4800000E-02   2.086500      0.2815000    
 C  -0.6450000       2.395000       1.448500    
 C    1.040500       2.905300     -0.2057000    
 C   -2.699500      0.9487000      -1.195300    
 C  -0.3099000       3.554600       2.147700    
 C    1.375500       4.064900      0.4936000    
 C   -4.046300      0.4654000     -0.8400000    
 C   0.7003000       4.389500       1.670300    
 C   -4.302600     -0.8389000     -0.1609000    
 C   -5.102800       1.234000      -1.140500    
 C   -5.715700      -1.182800      0.1303000    
 C   -6.724700     -0.2900000     -0.2371000    
 C   -8.034500     -0.6585000      5.7500001E-02
 C   -8.285700      -1.872800      0.6915000    
 C   -7.205400      -2.682300       1.010800    
 H    4.208100      -2.550200      -1.821200    
 H    5.211400      0.1542000      0.9592000    
 H    2.043200      -2.667000     -0.6800000    
 H    5.693700       2.054500     -0.4393000    
 H    7.372300       1.509500     -0.4004000    
 H    6.614200       1.896600      -1.943800    
 H    6.744400      -1.880700      -1.964800    
 H    7.151400     -0.4296000      -2.895300    
 H    8.001100     -0.7795000      -1.396800    
 H    1.818100      7.2600000E-02  -1.546300    
 H  -0.1518000      0.9958000      -1.546400    
 H    8.437200     -0.9464000       1.767200    
 H   -1.985000     -8.1400000E-02  0.4662000    
 H   -1.424200       1.757300       1.854400    
 H    1.573400       2.660900      -1.120100    
 H  -0.8327000       3.805600       3.066000    
 H    2.162800       4.714500      0.1224000    
 H   0.9621000       5.291700       2.215300    
 H   -5.014500       2.197900      -1.628800    
 H   -7.135100       1.557900      -1.134700    
 H   -8.865100     -7.7000000E-03 -0.2023000    
 H   -9.299000      -2.176600      0.9289000    
 H   -7.355100      -3.636600       1.505100    


%chk=000156504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156504

0 1
S 4.502726 0.273773 -1.790240
O 3.780256 -0.653229 2.361035
O 8.476008 -0.966117 0.929764
O 7.347093 -2.899317 0.291481
O -0.032615 -1.744170 -0.070628
O -2.641164 1.744130 -1.942437
O -3.772245 -1.269768 0.910131
N 4.885980 -1.341227 0.305570
N 1.767513 -0.271674 -0.212565
N -1.898831 0.243390 -0.318960
N -6.602879 0.656927 -1.460052
N -6.509191 -1.905767 1.216261
C 4.033744 -1.347912 -0.911393
C 6.336106 0.057334 -1.150760
C 6.192937 -0.688598 0.258412
C 2.763648 -1.284668 0.020163
C 3.803725 -1.036130 1.181084
C 6.954694 1.454962 -0.971813
C 7.102460 -0.780440 -2.197458
C 7.346478 -1.670087 0.481472
C 0.409870 -0.571411 -0.227049
C -0.501927 0.649763 -0.493382
C -0.133786 1.880582 0.353420
C 0.147469 1.762678 1.739422
C -0.116839 3.162310 -0.250333
C -2.882042 0.835959 -1.069444
C 0.446145 2.909371 2.505878
C 0.182200 4.310596 0.517639
C -4.288310 0.360931 -0.810984
C 0.465593 4.186855 1.897105
C -4.639213 -0.668839 0.187317
C -5.268720 0.968013 -1.579650
C -6.105850 -0.970048 0.298329
C -7.054160 -0.295881 -0.539008
C -8.436699 -0.603153 -0.420783
C -8.829428 -1.563216 0.521740
C -7.828591 -2.187734 1.319892
H 4.143382 -2.205951 -1.587272
H 6.237540 0.064096 1.067816
H 2.243553 -2.254616 0.108168
H 6.347307 2.079401 -0.294078
H 7.970067 1.358877 -0.544476
H 7.039044 1.975100 -1.942133
H 6.666188 -1.786166 -2.323517
H 7.075230 -0.269127 -3.173770
H 8.163032 -0.896374 -1.901752
H 2.063418 0.707191 -0.265657
H -0.383369 0.935106 -1.559617
H 9.229501 -1.601599 1.070772
H -2.168790 -0.533041 0.317581
H 0.138284 0.777005 2.220534
H -0.370504 3.254692 -1.312418
H 0.668017 2.806682 3.573786
H 0.188725 5.297693 0.041899
H 0.698717 5.076072 2.493794
H -4.974967 1.727252 -2.311456
H -7.285866 1.132842 -2.053019
H -9.174684 -0.097063 -1.054776
H -9.882466 -1.832259 0.647885
H -8.102418 -2.940796 2.067227


