%chk=000176390.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176390

0 1
 S   0.6648000      -1.026900       1.150100    
 S   -3.434300       1.891700     -8.9599997E-02
 F    1.075800      0.9934000     -0.4235000    
 F    1.044300       1.465800       1.695100    
 F    3.350600      0.1077000       2.114900    
 F    3.430000       1.777900      0.7279000    
 F    3.461300      -1.677400      6.7500003E-02
 F    5.078800     -0.2318000      0.1500000    
 F    4.308000     -0.8701000      -2.359400    
 F    2.280400     -0.1791000      -1.986300    
 F    3.947600       1.223700      -1.867500    
 O   0.8963000      -1.344900       2.546200    
 O    1.007400      -1.973200      0.1067000    
 O   -2.850500       2.255000      -1.571800    
 O   -4.609100       2.722600      0.1220000    
 O   -2.327300       1.913600      0.8521000    
 N  -0.9765000     -0.5780000      0.9780000    
 C    1.465900      0.5322000      0.7934000    
 C    2.984900      0.4936000      0.8593000    
 C    3.750500     -0.3676000     -0.1331000    
 C   -1.581100     -0.5613000     -0.3660000    
 C   -3.061400     -0.8183000     -0.3277000    
 C    3.562300     -4.0800001E-02  -1.594100    
 C   -3.967300      0.2287000     -0.2049000    
 C   -3.505100      -2.132900     -0.4184000    
 C   -5.335300     -4.1999999E-02 -0.1723000    
 C   -4.873000      -2.403600     -0.3858000    
 C   -5.788100      -1.358100     -0.2627000    
 H   -1.340000      0.1315000       1.627100    
 H   -1.128000      -1.347200     -0.9828000    
 H   -1.325400      0.3651000     -0.8843000    
 H   -2.803600      -2.957600     -0.5115000    
 H   -6.074400      0.7481000     -7.9700001E-02
 H   -5.225800      -3.428500     -0.4555000    
 H   -6.853200      -1.569400     -0.2377000    
 H   -3.502500       2.196600      -2.309200    


%chk=000176390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176390

0 1
S 0.199947 -0.310802 0.616514
S -4.409527 1.820763 0.599637
F 1.940108 1.034935 -1.163444
F 1.610415 2.101883 0.827079
F 3.165011 0.297372 2.175864
F 4.255515 1.370545 0.475795
F 2.965839 -2.026170 0.713554
F 5.079161 -1.182907 0.955488
F 4.905924 -2.374274 -1.415098
F 2.938154 -1.401116 -1.962343
F 4.820688 -0.139522 -1.797074
O 0.148208 -0.559658 2.212614
O 0.216749 -1.505693 -0.483211
O -4.454552 2.575637 -1.099172
O -5.819357 2.050302 1.346946
O -3.051313 2.351346 1.324820
N -1.001042 0.901792 0.073864
C 1.906713 0.874224 0.227798
C 3.275530 0.377494 0.769256
C 3.847388 -1.008618 0.284691
C -1.908728 0.509351 -1.027880
C -3.069566 -0.405321 -0.629566
C 4.125788 -1.225443 -1.249042
C -4.237654 0.027886 0.038503
C -3.025481 -1.788365 -0.945805
C -5.323458 -0.792176 0.381543
C -4.092896 -2.653180 -0.614530
C -5.242173 -2.161655 0.043982
H -1.436433 1.441225 0.851730
H -1.308983 0.012469 -1.806967
H -2.288225 1.460934 -1.444424
H -2.132152 -2.177847 -1.444895
H -6.195528 -0.375689 0.895860
H -4.024554 -3.715324 -0.870516
H -6.069170 -2.831739 0.297477
H -4.563348 3.565843 -0.992551


