%chk=000162631.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162631

0 1
 S    2.252700     -0.3616000       1.255200    
 O   0.9118000      -2.409500      -2.408100    
 O   -2.436000      -1.218000      9.3199998E-02
 O   -1.412400      -3.076000       1.007500    
 O    5.508500      -1.494500      7.6899998E-02
 O   -5.103500      0.1597000       1.781800    
 N   0.9194000      -2.154900     -6.1799999E-02
 N    3.683900      -1.226900      -1.331900    
 N   -4.732500     -0.9260000     -0.2326000    
 C    2.222700      -2.071600      0.6041000    
 C   0.4045000     -0.3761000       1.486500    
 C  -0.1075000      -1.191500      0.2796000    
 C    2.866800      -2.299400     -0.7702000    
 C    1.425100      -2.355600      -1.313600    
 C   0.1047000      -1.005700       2.853700    
 C  -0.1130000       1.062900       1.447300    
 C   -1.370600      -1.956900      0.5145000    
 C    4.956700     -0.9105000     -0.8523000    
 C    5.582900      0.2432000      -1.611000    
 C   -3.717400      -1.836900      0.2551000    
 C    5.906800       1.425800     -0.7369000    
 C    4.958600       2.430400     -0.5430000    
 C    7.154900       1.516700     -0.1205000    
 C   -5.346300      7.7000000E-03  0.5874000    
 C    5.258400       3.525700      0.2668000    
 C    7.454600       2.612100      0.6895000    
 C    6.506300       3.616600      0.8830000    
 C   -6.348800      0.8863000     -6.8099998E-02
 C   -7.391300       1.433900      0.6798000    
 C   -6.247400       1.164400      -1.431300    
 C   -8.332500       2.259200      6.4400002E-02
 C   -7.188700       1.989800      -2.046500    
 C   -8.231200       2.537200      -1.298600    
 H    2.374000      -2.864600       1.342100    
 H  -0.2416000     -0.5525000     -0.6042000    
 H    3.371700      -3.269200     -0.8619000    
 H   0.4471000      -2.044400       2.919100    
 H  -0.9721000      -1.001600       3.059000    
 H   0.5828000     -0.4451000       3.666000    
 H   -1.204000       1.083900       1.550600    
 H   0.1345000       1.560300      0.5023000    
 H   0.3043000       1.665000       2.262800    
 H    3.315800     -0.6793000      -2.106100    
 H    6.498100     -0.1363000      -2.083500    
 H    4.944700      0.5697000      -2.440900    
 H   -3.771000      -2.748400     -0.3484000    
 H   -3.896700      -2.060800       1.311900    
 H   -5.004100      -1.026100      -1.204500    
 H    3.981800       2.369100      -1.015800    
 H    7.901500      0.7398000     -0.2620000    
 H    4.519600       4.307300      0.4184000    
 H    8.426000       2.682800       1.170000    
 H    6.739400       4.469300       1.514000    
 H   -7.489400       1.225500       1.741900    
 H   -5.434600      0.7856000      -2.043500    
 H   -9.144700       2.685100      0.6463000    
 H   -7.106200       2.212700      -3.106400    
 H   -8.963000       3.181100      -1.777400    


%chk=000162631-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162631

0 1
S 1.496809 0.774224 0.493225
O 1.618624 -2.301114 -2.518841
O -2.729147 -1.756682 -0.374188
O -1.363679 -2.858585 1.170463
O 5.851758 -1.908169 -0.451658
O -4.609815 -0.099840 1.720585
N 0.907847 -1.718917 -0.266655
N 3.979097 -0.622020 -0.964893
N -5.079758 -1.553911 -0.024668
C 1.937424 -1.074972 0.588224
C -0.400662 0.292989 0.394953
C -0.425577 -1.126381 -0.350902
C 3.036365 -1.570654 -0.429302
C 1.810134 -1.971951 -1.336725
C -0.948351 0.233315 1.837345
C -1.127123 1.361292 -0.441386
C -1.507183 -2.030499 0.249593
C 5.351458 -0.854340 -0.944819
C 6.211193 0.272973 -1.532661
C -3.947926 -2.380013 0.271399
C 6.746736 1.207836 -0.445911
C 6.449227 2.592923 -0.473082
C 7.554242 0.697638 0.603728
C -5.334487 -0.397294 0.722033
C 6.952341 3.457849 0.526612
C 8.054845 1.560410 1.602976
C 7.757603 2.943667 1.567783
C -6.506578 0.442114 0.296530
C -7.003994 1.383579 1.234641
C -7.114157 0.352052 -0.984501
C -8.102675 2.204006 0.908488
C -8.210905 1.178020 -1.311948
C -8.711865 2.100906 -0.364656
H 1.996003 -1.411211 1.631403
H -0.669277 -0.966350 -1.417586
H 3.608432 -2.438988 -0.058706
H -0.442816 -0.541244 2.439158
H -2.036149 0.025966 1.837715
H -0.791648 1.207485 2.329936
H -2.192660 1.083856 -0.542623
H -0.688016 1.455783 -1.449817
H -1.081100 2.346424 0.054974
H 3.614057 0.256050 -1.341572
H 7.051408 -0.220281 -2.053525
H 5.643097 0.851001 -2.284006
H -4.071843 -3.388184 -0.152912
H -3.759362 -2.424655 1.355608
H -5.652893 -1.771373 -0.838664
H 5.828716 2.999799 -1.281678
H 7.774712 -0.375580 0.635251
H 6.716173 4.527446 0.491292
H 8.677353 1.154877 2.408616
H 8.149066 3.611968 2.342939
H -6.509031 1.452329 2.208743
H -6.725698 -0.327072 -1.753799
H -8.483518 2.922671 1.641871
H -8.668214 1.108244 -2.304647
H -9.564511 2.739490 -0.620051


