%chk=000110002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110002

0 1
 S   -2.215200      0.3187000     -0.6836000    
 F    1.119100       1.737400      0.9314000    
 F   2.7799999E-02   2.507500     -0.7802000    
 F    2.208900       1.199500      -1.423600    
 F   0.4201000      0.2061000      -2.151300    
 F   -1.488600       1.840500       1.278000    
 F  -0.7007000     -0.1803000       1.366400    
 F    2.258500      -1.578500      -1.375700    
 F   0.5633000      -1.574400     -1.8600000E-02
 F    2.844200      -1.964900       1.225100    
 F    1.847200     -0.1174000       1.791200    
 F    3.618300       1.360400      0.3827000    
 F    4.480400      3.1700000E-02   1.868000    
 F    5.986000      0.2455000     -0.3939000    
 F    5.191900      -1.750700     -6.1299998E-02
 F    4.323100     -0.4797000      -1.605600    
 O   -2.646800       1.488400      -1.425100    
 O   -1.701600     -0.8412000      -1.386900    
 O   -8.332700      -1.399000      -1.145100    
 N   -3.493400     -0.1954000      0.3417000    
 C   0.3099000       1.357700     -0.1025000    
 C    1.129300      0.4641000      -1.025700    
 C  -0.9813000      0.8347000      0.5087000    
 C    1.639800     -0.8389000     -0.4233000    
 C    2.558000     -0.7053000      0.7852000    
 C   -4.423900      0.8175000      0.8963000    
 C    3.867100      5.3800002E-02  0.6489000    
 C   -5.801800      0.2051000       1.124000    
 C   -3.229100      -1.300600       1.294700    
 C   -6.418900     -0.3473000     -0.1615000    
 C    4.850100     -0.4777000     -0.3631000    
 C   -7.809100     -0.9174000      8.4799998E-02
 H   -4.025600       1.212800       1.837300    
 H   -4.527700       1.659700      0.2048000    
 H   -6.459300      0.9854000       1.528000    
 H   -5.762400     -0.5802000       1.887000    
 H   -4.094000      -1.967400       1.348400    
 H   -2.999600     -0.9169000       2.292800    
 H   -2.391600      -1.917800      0.9560000    
 H   -5.788500      -1.132800     -0.5951000    
 H   -6.479200      0.4418000     -0.9216000    
 H   -7.769600      -1.748500      0.7962000    
 H   -8.484100     -0.1477000      0.4724000    
 H   -9.217500      -1.756200     -0.9579000    


%chk=000110002-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110002

0 1
S -2.426231 -0.591106 -0.283436
F 1.132939 1.691740 1.208118
F -0.361506 2.196496 -0.440930
F 2.004899 1.404977 -1.410928
F 0.297925 -0.045482 -1.877821
F -1.576284 1.184305 1.760930
F -0.335446 -0.725470 1.714277
F 2.726713 -1.199159 -1.726511
F 1.238651 -1.901709 -0.145096
F 3.773151 -2.068825 0.651353
F 2.602963 -0.509210 1.833053
F 3.945477 1.561720 0.571603
F 5.250258 -0.012700 1.587154
F 6.510595 0.932905 -0.559934
F 5.757761 -1.142934 -1.076648
F 4.729389 0.694150 -1.933777
O -2.744423 0.404763 -1.514452
O -1.946534 -2.121814 -0.467503
O -8.581103 -1.066114 -1.579189
N -3.887821 -0.591012 0.804476
C 0.270019 1.118574 0.224523
C 1.170670 0.405579 -0.858008
C -0.849154 0.308581 0.922007
C 2.087469 -0.836591 -0.512220
C 3.219511 -0.767888 0.586451
C -4.622939 0.694119 0.905085
C 4.429798 0.240816 0.462615
C -6.150280 0.442277 0.927853
C -3.762933 -1.451382 1.997023
C -6.684308 -0.222174 -0.357609
C 5.363770 0.170202 -0.804641
C -8.205308 -0.397760 -0.323912
H -4.310378 1.248741 1.813607
H -4.368376 1.299498 0.016264
H -6.627738 1.433056 1.074484
H -6.418411 -0.165483 1.815625
H -4.773541 -1.813700 2.255279
H -3.338145 -0.916049 2.870185
H -3.143121 -2.330707 1.755154
H -6.213874 -1.212029 -0.499036
H -6.415345 0.387727 -1.240941
H -8.499606 -1.013071 0.556030
H -8.704147 0.593300 -0.236807
H -9.564208 -1.179059 -1.615348


