%chk=000160167.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160167

0 1
 S   -1.300100       2.187100      -1.066300    
 O  -0.1274000      -3.001700     -0.5415000    
 O  -0.3884000      0.3324000       1.978700    
 O    3.800900     -0.1435000      -1.770500    
 O    4.001700       1.028100      0.1669000    
 O   -4.442300      -1.489200      -1.225600    
 O   -2.381200      -1.105900      -2.093200    
 O    1.653200       2.974900     -0.7120000    
 N   -1.278100      -1.259400      0.5143000    
 N   -3.159600      0.9714000       2.354700    
 N    3.933600      -1.231400       1.667200    
 C    2.421700      -2.050200     -0.1220000    
 C    1.219200      -1.251400      0.3933000    
 C   -2.531800      0.8509000       1.036200    
 C    3.771700      -1.407800      0.2246000    
 C  -0.1076000      -1.931400      7.2700001E-02
 C   -1.290100     -3.3900000E-02   1.219200    
 C   -2.147900       2.252600      0.5451000    
 C   -2.542600      -1.911600      0.1693000    
 C    3.871500     -3.8199998E-02 -0.4172000    
 C  -0.5735000       3.840800      -1.040700    
 C   -3.090800      -1.462500      -1.160600    
 C   0.6879000       3.879900     -0.1925000    
 H    2.333800      -2.175900      -1.208700    
 H    2.391600      -3.063000      0.3019000    
 H    1.207400     -0.2484000     -4.5499999E-02
 H    1.299100      -1.177300       1.481600    
 H   -3.270900      0.4470000      0.3498000    
 H    4.595000      -2.025800     -0.1506000    
 H   -3.042300       2.876300      0.4346000    
 H   -1.494500       2.735000       1.279200    
 H   -2.416700      -2.998800      0.1272000    
 H   -3.275100      -1.699500      0.9555000    
 H   -3.508100      6.0600001E-02   2.651600    
 H   -3.975000       1.579900       2.291600    
 H    4.871700     -0.8862000       1.866800    
 H    3.858900      -2.135900       2.131200    
 H  -0.3192000       4.088200      -2.076800    
 H   -1.307300       4.574500     -0.6932000    
 H    1.118000       4.886500     -0.2238000    
 H   0.4965000       3.628600      0.8547000    
 H    3.863100      0.7321000      -2.208400    
 H   -4.773700      -1.190900      -2.099400    
 H    2.441800       3.042700     -0.1472000    


%chk=000160167-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160167

0 1
S -0.932736 2.744548 -1.327027
O -0.435394 -3.279949 1.355692
O -0.362653 0.880968 1.600642
O 2.180100 0.706166 -1.351085
O 3.722945 1.022370 0.350875
O -3.765107 -2.908280 -1.244594
O -1.734793 -1.933408 -1.827769
O 2.246921 3.102977 -0.475125
N -1.300433 -1.164698 0.900567
N -3.639802 0.846369 1.278079
N 4.203009 -1.657938 0.587281
C 1.833748 -1.908896 -0.254559
C 1.232608 -1.528830 1.131576
C -2.473800 1.016127 0.370928
C 3.245308 -1.267082 -0.445561
C -0.182105 -2.055930 1.194860
C -1.272748 0.244840 0.997153
C -2.112762 2.499921 0.143560
C -2.548505 -1.858681 0.521319
C 3.092107 0.255657 -0.449854
C 0.084824 4.191418 -0.640066
C -2.586987 -2.207871 -0.958473
C 1.197315 3.766335 0.316596
H 1.175581 -1.568783 -1.074330
H 1.933610 -3.007346 -0.320443
H 1.269776 -0.444234 1.293276
H 1.835838 -2.022156 1.912825
H -2.731406 0.548647 -0.598237
H 3.580528 -1.549617 -1.469274
H -3.035004 3.072380 -0.058252
H -1.610818 2.894219 1.043094
H -2.603426 -2.802311 1.091255
H -3.415579 -1.231915 0.804964
H -3.474556 1.193444 2.229906
H -4.522474 1.197766 0.890806
H 4.667476 -0.874521 1.053267
H 4.794272 -2.460922 0.378964
H 0.516567 4.692549 -1.522497
H -0.612270 4.889567 -0.145630
H 1.629986 4.669641 0.794338
H 0.815134 3.082490 1.100768
H 1.999782 1.727681 -1.204512
H -3.775755 -3.155345 -2.208737
H 2.965781 2.692332 0.105633


