%chk=000174264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174264

0 1
 S    6.578900     -0.5863000      0.9521000    
 S    7.522000      -2.178000     -2.8899999E-02
 F   -3.783100       1.652700     -0.2647000    
 F   -2.772600       2.329600       1.527500    
 F   -3.997100      4.2300001E-02   1.907300    
 F   -1.844900     -0.1479000       2.056900    
 F   -1.552500       2.939600     -0.8065000    
 F   -1.432800      0.8501000      -1.372900    
 F   -1.681300      -1.301800     -0.3715000    
 F   -2.972300      -2.293000       1.064100    
 F   -3.836000     -0.3207000      -1.719500    
 F   -3.766900      -2.477000      -1.474700    
 F   -6.275600      -1.407700      -1.323200    
 F   -5.634100      -2.339800      0.5429000    
 F   -5.666200     -0.1727000      0.3676000    
 O    2.281100       1.731000      0.3069000    
 O    3.554100       2.254600      -1.531600    
 O    7.564900      -3.364200       1.088200    
 O    6.646200      -2.607200      -1.102300    
 O    8.887400      -1.772400     -0.3016000    
 N    4.521700       1.812600      0.5302000    
 C   -2.702700       1.406100      0.5261000    
 C   -2.857200      2.9600000E-02   1.159800    
 C   -1.449800       1.679500     -0.2943000    
 C   -2.885400      -1.194900      0.2562000    
 C  -0.1033000       1.561500      0.4086000    
 C   -3.973800      -1.308600     -0.8006000    
 C    1.100200       1.849500     -0.4767000    
 C   -5.397800      -1.316600     -0.3021000    
 C    3.465400       1.960900     -0.3439000    
 C    5.905300       1.988200      0.1532000    
 C    6.558100      0.7011000     -0.3323000    
 H  -7.8599997E-02   2.242000       1.268700    
 H   2.0300001E-02  0.5509000      0.8140000    
 H    1.032800       2.865600     -0.8825000    
 H    1.137200       1.133000      -1.305500    
 H    5.957500       2.741400     -0.6411000    
 H    6.433700       2.391100       1.024400    
 H    4.315000       1.558300       1.491300    
 H    6.020900      0.3097000      -1.202600    
 H    7.589600      0.9056000     -0.6362000    
 H    7.983400      -4.206800      0.7933000    


%chk=000174264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174264

0 1
S 5.953430 -1.590270 -1.378450
S 7.298440 -1.857736 0.616043
F -3.584099 1.958267 0.362759
F -2.192680 2.108101 2.170832
F -3.793618 -0.063169 2.210135
F -1.558513 -0.517843 2.070896
F -1.211661 3.223907 -0.091615
F -1.482906 1.310595 -1.303686
F -1.791262 -1.299760 -0.546212
F -3.094007 -2.393705 0.971439
F -4.014022 0.007749 -1.600057
F -4.116005 -2.272413 -1.527089
F -6.557238 -1.239300 -1.183341
F -5.843585 -2.014353 0.824693
F -5.901845 0.220942 0.416615
O 2.546083 1.318069 0.126985
O 3.724244 2.264555 -1.686863
O 6.014841 -1.052148 1.740091
O 7.467431 -3.389345 1.081860
O 8.575088 -0.867987 0.578261
N 4.809889 1.068949 0.014976
C -2.401879 1.436470 0.933760
C -2.684823 -0.064434 1.330364
C -1.180493 1.793978 0.010448
C -2.957432 -1.182425 0.251194
C 0.193039 1.331799 0.464334
C -4.183074 -1.096955 -0.741488
C 1.301836 1.870851 -0.453359
C -5.641208 -1.030597 -0.147924
C 3.714341 1.605387 -0.613399
C 6.137741 1.193017 -0.573291
C 6.420336 0.195651 -1.729090
H 0.364815 1.679138 1.497965
H 0.231094 0.229661 0.468452
H 1.349352 2.972892 -0.450431
H 1.188590 1.524004 -1.494901
H 6.253803 2.207168 -0.996459
H 6.887319 1.060489 0.223792
H 4.694527 0.453223 0.825755
H 5.765228 0.439440 -2.590881
H 7.474253 0.238078 -2.046908
H 6.236332 -1.289041 2.687892


