%chk=000160556.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160556

0 1
 O   -3.183500       1.084100      -1.757000    
 O   -2.340800       2.715400     -0.4272000    
 O    5.376100      -1.936400      0.7315000    
 O    5.301400      -1.422700      -1.474600    
 O   -5.511200      -1.583800      -1.216600    
 O   -3.939700      -2.470500      0.1643000    
 N   -1.121000      0.7118000       1.095900    
 N    5.171300       1.203300      -1.094800    
 C    1.330600      0.7052000       1.059000    
 C    2.570500      0.3631000      0.2290000    
 C   4.9100000E-02  0.3727000      0.2947000    
 C   -2.349400      0.4093000      0.3750000    
 C    3.892700      0.6517000      0.9526000    
 C   -3.539400      0.1855000       1.323000    
 C    5.152000      0.3849000      0.1183000    
 C   -4.841900     -0.2884000      0.6724000    
 C   -2.606600       1.534700     -0.6114000    
 C    5.287800      -1.063800     -0.3025000    
 C   -4.698200      -1.556100     -0.1317000    
 H    1.347000       1.772000       1.315000    
 H    1.359700      0.1452000       2.002200    
 H    2.533500     -0.6981000     -4.5800000E-02
 H    2.529600      0.9334000     -0.7067000    
 H   4.7600001E-02 -0.6971000      5.1300000E-02
 H   4.6300001E-02  0.9311000     -0.6489000    
 H   -2.197700     -0.5136000     -0.1985000    
 H    3.897200       1.700300       1.277900    
 H    3.929600      4.6100002E-02   1.867000    
 H   -1.088200      0.1783000       1.964600    
 H   -3.252000     -0.5586000       2.078300    
 H   -3.751200       1.114600       1.868700    
 H    6.039600      0.6361000      0.7110000    
 H   -5.223600      0.5030000      1.7400000E-02
 H   -5.600000     -0.4678000       1.442700    
 H    5.096500       2.188300     -0.8431000    
 H    6.069700       1.097900      -1.565000    
 H   -3.351200       1.812500      -2.392300    
 H    5.453600      -2.864100      0.4223000    
 H   -5.411800      -2.415300      -1.727600    


%chk=000160556-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160556

0 1
O -3.481363 1.112704 -1.946844
O -2.004067 2.621975 -0.986821
O 5.276644 -2.000840 0.390509
O 5.767587 -0.932850 -1.609024
O -6.119008 -2.073669 -0.186599
O -3.973116 -2.425438 0.621150
N -1.123795 0.557745 0.817779
N 5.426312 1.562359 -0.497491
C 1.353406 0.520231 0.976741
C 2.689640 0.342691 0.223554
C 0.130706 0.416657 0.045322
C -2.377282 0.380822 0.076478
C 3.908568 0.428839 1.162512
C -3.569865 0.408322 1.085401
C 5.277201 0.423984 0.408636
C -4.901263 -0.124705 0.527137
C -2.550773 1.502987 -0.955402
C 5.463587 -0.859846 -0.397084
C -4.899864 -1.630504 0.344959
H 1.328859 1.505879 1.480953
H 1.273599 -0.249902 1.775014
H 2.690018 -0.638159 -0.296318
H 2.794058 1.121465 -0.556174
H 0.174817 -0.551258 -0.516438
H 0.174138 1.231878 -0.700796
H -2.422804 -0.580367 -0.489106
H 3.862189 1.372532 1.741866
H 3.900856 -0.406782 1.888192
H -1.117008 -0.028179 1.662917
H -3.271260 -0.217925 1.948092
H -3.696218 1.440137 1.459198
H 6.071482 0.387615 1.193717
H -5.145807 0.335075 -0.447484
H -5.737434 0.125743 1.207570
H 5.744493 2.434767 -0.079122
H 5.809569 1.343967 -1.419412
H -3.587382 1.859349 -2.597408
H 5.423278 -2.810037 -0.170161
H -6.088701 -3.063064 -0.295613


