%chk=000162170.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162170

0 1
 S   -3.026700      0.5557000       1.127800    
 O   -3.127600      -2.470400      -2.073000    
 O   -7.066000     -0.7590000      -1.349800    
 O   -6.568800      -2.236600      0.3133000    
 O   0.3425000     -0.7579000       1.552500    
 O    3.485100      0.7408000      -1.877900    
 O    5.325200      -2.240400       2.413100    
 O    7.296900      -1.686100      -1.701600    
 N   -3.932200      -1.574500     -4.3000001E-02
 N  -0.8386000     -0.9474000     -0.4354000    
 N    2.465700      0.3063000      0.1302000    
 N    4.824100      0.2344000     -5.2000001E-02
 N    6.158900      -2.009400      0.2759000    
 C   -2.946100      -1.267900      0.9974000    
 C   -4.833300      0.5467000      0.6744000    
 C   -4.942100     -0.5875000     -0.3673000    
 C   -1.875500      -1.847500      6.2700003E-02
 C   -3.032100      -2.098400     -0.9254000    
 C   -5.641100      0.3121000       1.958100    
 C   -5.199800       1.901100      6.4599998E-02
 C   -6.257700      -1.297700     -0.4043000    
 C   0.2015000     -0.4698000      0.3654000    
 C    1.123000      0.4920000     -0.3734000    
 C   0.6635000       1.924900     -0.2390000    
 C    3.585100      0.4480000     -0.6815000    
 C  -0.2208000       2.464400      -1.173200    
 C    1.123100       2.708600      0.8196000    
 C    5.036400     -0.1132000       1.348500    
 C    6.030900      0.1668000     -0.8613000    
 C  -0.6453000       3.787300      -1.049100    
 C   0.6984000       4.031400      0.9438000    
 C  -0.1858000       4.570700      9.3999999E-03
 C    5.459100      -1.562800       1.394600    
 C    6.520300      -1.265000     -0.8443000    
 H   -3.122100      -1.819600       1.925200    
 H   -4.711200     -0.2237000      -1.378100    
 H   -1.441000      -2.787900      0.4242000    
 H   -6.717700      0.3399000       1.754000    
 H   -5.441300       1.090400       2.704400    
 H   -5.419600     -0.6568000       2.419300    
 H   -6.252200       1.915200     -0.2412000    
 H   -4.598700       2.124600     -0.8245000    
 H   -5.056300       2.718800      0.7805000    
 H  -0.8695000     -0.6392000      -1.404400    
 H    1.134700      0.2205000      -1.436900    
 H   -7.935200      -1.211700      -1.389800    
 H    2.554800      3.3399999E-02   1.099400    
 H  -0.5876000       1.864700      -2.001900    
 H    1.799800       2.313300       1.572000    
 H    4.160700      3.7200000E-02   1.977400    
 H    5.849200      0.5064000       1.743000    
 H    6.793800      0.8209000     -0.4277000    
 H    5.840800      0.4655000      -1.895700    
 H   -1.334900       4.206700      -1.775800    
 H    1.053100       4.640700       1.770000    
 H  -0.5175000       5.600200      0.1069000    
 H    6.496300      -2.967400      0.3086000    


%chk=000162170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162170

0 1
S -3.686089 1.199983 0.597710
O -3.006332 -2.476545 -1.559741
O -7.719603 -1.480061 -0.533959
O -6.687654 -2.396847 1.341264
O 0.741715 -1.473431 1.153255
O 3.611297 0.922243 -1.827973
O 6.304145 -2.664281 1.951401
O 7.974945 -1.135906 -2.100959
N -4.155162 -1.415556 0.304489
N -0.992336 -0.412908 0.012125
N 2.660080 0.004048 0.087231
N 5.021365 -0.054805 -0.242098
N 7.015436 -1.926380 -0.138169
C -3.308484 -0.570363 1.185368
C -5.529774 0.652908 0.238736
C -5.425393 -0.886043 -0.188355
C -2.035076 -1.250614 0.551124
C -3.057761 -1.882316 -0.472589
C -6.339247 0.859280 1.537328
C -6.073613 1.509871 -0.917386
C -6.628109 -1.684056 0.323851
C 0.335589 -0.585100 0.340827
C 1.315477 0.387813 -0.359329
C 0.968846 1.857253 -0.075208
C 3.746914 0.318860 -0.713992
C 0.932771 2.789285 -1.139522
C 0.704416 2.299826 1.246466
C 5.338615 -0.569577 1.091572
C 6.176469 0.211533 -1.105340
C 0.626347 4.146633 -0.889591
C 0.398626 3.654199 1.496544
C 0.356186 4.581369 0.427604
C 6.231711 -1.816270 1.027704
C 7.123620 -0.984651 -1.191051
H -3.467731 -0.669389 2.267066
H -5.428324 -0.953092 -1.292466
H -1.567296 -1.997715 1.214156
H -7.405255 0.610012 1.372901
H -6.280832 1.915370 1.847986
H -5.962021 0.234905 2.365348
H -7.092847 1.171095 -1.179845
H -5.436813 1.428051 -1.815018
H -6.130494 2.573264 -0.626054
H -1.261578 0.363690 -0.599849
H 1.249522 0.231493 -1.455819
H -8.505633 -1.994596 -0.203948
H 2.662954 -0.727194 0.808466
H 1.180546 2.455096 -2.153183
H 0.741677 1.585692 2.078870
H 4.440948 -0.843134 1.662660
H 5.875796 0.193513 1.698693
H 6.763683 1.088211 -0.753487
H 5.807429 0.456885 -2.114146
H 0.608206 4.862774 -1.718423
H 0.192106 3.988707 2.519352
H 0.118916 5.633269 0.622345
H 7.635704 -2.744499 -0.196243


