%chk=000096680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096680

0 1
 O    3.667100     -0.6507000      0.1616000    
 O    2.958400       1.514900      0.4886000    
 N  -0.8091000     -0.4366000     -2.8700000E-02
 N  -0.3480000      -1.691400     -0.2166000    
 C   0.1931000      0.4770000      0.1752000    
 C    1.371900     -0.2257000      0.1162000    
 C   -2.168300     -0.1831000     -5.4400001E-02
 C  -6.7100003E-02   1.913400      0.4040000    
 C   0.9776000      -1.555000     -0.1269000    
 C   -2.638200       1.058400     -0.4825000    
 C   -3.069400      -1.169300      0.3469000    
 C    2.689300      0.3122000      0.2729000    
 C   -4.009200       1.314000     -0.5094000    
 C   -4.440400     -0.9139000      0.3199000    
 C   -4.910300      0.3278000     -0.1081000    
 C    5.030200     -0.2358000      0.3014000    
 C    5.572200      0.1437000      -1.060200    
 H    1.594500      -2.434800     -0.2438000    
 H   0.7523000       2.359000      0.9788000    
 H  -0.1071000       2.472700     -0.5353000    
 H  -0.9445000       2.109600       1.026400    
 H   -2.017300       1.823500     -0.9279000    
 H   -2.735100      -2.143300      0.6954000    
 H   -4.377800       2.270000     -0.8698000    
 H   -5.142400      -1.681100      0.6331000    
 H   -5.978100      0.5245000     -0.1350000    
 H    5.130300      0.5859000       1.018900    
 H    5.589700      -1.087400      0.7015000    
 H    6.629200      0.4165000     -0.9953000    
 H    5.465300     -0.6882000      -1.764200    
 H    5.018300      0.9893000      -1.480800    


%chk=000096680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096680

0 1
O 3.682493 -0.721683 0.154275
O 3.086283 1.514599 0.505637
N -0.841048 -0.316688 -0.068854
N -0.372706 -1.642474 -0.246576
C 0.195380 0.587096 0.147459
C 1.385345 -0.180259 0.087551
C -2.262383 -0.109490 -0.082526
C 0.030658 2.048354 0.445896
C 0.972242 -1.531734 -0.155734
C -2.826947 1.091603 -0.576446
C -3.100277 -1.154571 0.379581
C 2.749976 0.321903 0.268034
C -4.229589 1.255496 -0.573136
C -4.499125 -0.981835 0.369364
C -5.071536 0.224846 -0.098465
C 5.118859 -0.340858 0.298845
C 5.696755 0.121645 -1.042225
H 1.602688 -2.410828 -0.265507
H 0.941651 2.406189 0.949820
H -0.079334 2.648004 -0.477567
H -0.851053 2.238900 1.081944
H -2.190393 1.878940 -0.987677
H -2.642737 -2.084404 0.726141
H -4.661911 2.185477 -0.957977
H -5.143174 -1.791591 0.728879
H -6.158821 0.355697 -0.101320
H 5.198477 0.452239 1.063042
H 5.597350 -1.266242 0.658138
H 6.781196 0.311805 -0.936548
H 5.555269 -0.649948 -1.818745
H 5.213510 1.055912 -1.373403


