%chk=000163458.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163458

0 1
 S   -5.791700      0.6012000      8.3499998E-02
 S   -1.134800      -3.661300      0.3244000    
 O    1.979600      -1.692400      -3.168500    
 O  -0.9608000       3.472900     -0.6497000    
 O    2.664700     -0.5567000       2.704000    
 O    3.932300     -0.1510000      -2.470600    
 O   -6.695600      0.2474000      -1.003500    
 O   -6.323300      0.7554000       1.431200    
 N   -4.960000       2.032400     -0.3418000    
 N   0.6621000      -2.109700       2.228900    
 C    2.129900      -1.192800      0.4811000    
 C    2.465100      -1.084100     -0.8701000    
 C    4.076100      0.3330000       1.086800    
 C    4.411400      0.4416000     -0.2646000    
 C    1.034800      -1.974500      0.8681000    
 C    2.923300     -0.4885000       1.508900    
 C    3.618000     -0.2628000      -1.292300    
 C   0.2800000      -2.643300     -9.6199997E-02
 C    1.705000      -1.756800      -1.834500    
 C   -4.426400       2.909200      0.7104000    
 C   -3.189600       3.643400      0.2113000    
 C   0.6144000      -2.534600      -1.444600    
 C   -4.504500     -0.5764000      0.1500000    
 C    4.836300       1.005600       2.051000    
 C    5.506800       1.222900     -0.6516000    
 C   -2.450300      -2.457000      0.2562000    
 C   -2.072600       2.699500     -0.2181000    
 C   -3.822500     -0.7973000       1.346400    
 C   -4.158500      -1.296800     -0.9932000    
 C    5.927100       1.782900       1.661100    
 C    6.261600       1.891600      0.3126000    
 C   -2.794300      -1.738500       1.399700    
 C   -3.130400      -2.238100     -0.9401000    
 C   0.1189000       2.647500      -1.065000    
 C    1.268100       3.526100      -1.511400    
 H   -5.198400       3.634600      0.9872000    
 H   -4.165900       2.330100       1.602100    
 H   -3.452900       4.291200     -0.6348000    
 H   -2.818700       4.314600      0.9957000    
 H   2.8100001E-02  -3.055900      -2.198900    
 H   -5.177000       2.477200      -1.242100    
 H    4.598500      0.9391000       3.109300    
 H    5.789300       1.325000      -1.695900    
 H   -1.773400       2.065400      0.6248000    
 H   -2.403300       2.057600      -1.042500    
 H   -4.071500     -0.2457000       2.248500    
 H   -4.672300      -1.135700      -1.936700    
 H    6.516400       2.304500       2.409700    
 H    7.111300       2.497700      1.1800000E-02
 H   -2.282300      -1.898600       2.344500    
 H   -2.874100      -2.789100      -1.841600    
 H    1.183700      -1.652600       2.962500    
 H  -9.7300000E-02  -2.730600       2.475700    
 H    1.334400      -2.227100      -3.661700    
 H  -0.2002000       2.007700      -1.895500    
 H   0.4423000       2.012500     -0.2323000    
 H    1.593400       4.179500     -0.6951000    
 H   0.9591000       4.176300      -2.336400    
 H    2.118300       2.920400      -1.838000    


%chk=000163458-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163458

0 1
S -5.683676 0.773600 1.067732
S -0.861963 -3.298326 -0.489851
O 2.177549 0.408669 -2.571554
O -1.999790 3.390814 -2.022840
O 3.461850 -2.303086 2.791020
O 4.277363 1.329121 -1.287663
O -7.071138 -0.081123 1.118945
O -5.161591 1.715960 2.295655
N -5.803347 1.822316 -0.492143
N 1.283755 -3.150741 1.711480
C 2.685890 -1.409884 0.674448
C 2.907500 -0.480953 -0.410479
C 4.833202 -0.610285 1.796726
C 5.047621 0.320786 0.745442
C 1.527022 -2.280837 0.682169
C 3.636632 -1.488905 1.801893
C 4.083327 0.447461 -0.391326
C 0.617918 -2.198717 -0.430216
C 1.985255 -0.458006 -1.494257
C -5.414163 3.255771 -0.322226
C -4.300481 3.651012 -1.314628
C 0.856936 -1.324507 -1.488773
C -4.282618 -0.410695 0.664277
C 5.765719 -0.700185 2.862059
C 6.193009 1.155512 0.769423
C -2.198278 -2.118650 0.007029
C -2.972701 2.948125 -1.019507
C -2.991480 -0.088232 1.109672
C -4.581597 -1.570424 -0.068463
C 6.902650 0.129300 2.877198
C 7.117059 1.060696 1.827484
C -1.935317 -0.963909 0.779734
C -3.517495 -2.435175 -0.402614
C -0.665972 2.815112 -1.801067
C 0.258635 3.326685 -2.905242
H -6.300826 3.901416 -0.467793
H -5.077253 3.414178 0.724136
H -4.612048 3.414061 -2.348031
H -4.149245 4.746498 -1.257788
H 0.151374 -1.306168 -2.328754
H -6.791247 1.681852 -0.775117
H 5.572296 -1.424343 3.658894
H 6.329736 1.865264 -0.052280
H -2.613051 3.208783 0.004051
H -3.100158 1.844737 -1.072544
H -2.823528 0.805511 1.718802
H -5.611139 -1.793818 -0.364874
H 7.622240 0.057444 3.699704
H 8.002071 1.705785 1.841408
H -0.919407 -0.737704 1.116234
H -3.713583 -3.337204 -0.991283
H 1.979689 -3.163188 2.477316
H 0.460959 -3.753780 1.671001
H 1.456369 0.290557 -3.243428
H -0.732112 1.700918 -1.812294
H -0.287640 3.116113 -0.798228
H 0.298838 4.429252 -2.887334
H -0.114109 3.018187 -3.898542
H 1.282187 2.935452 -2.762690


