%chk=000080704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080704

0 1
 O   -2.739800      -3.525600      0.3478000    
 O    1.769300       2.126700      0.7059000    
 N   0.5072000      0.3661000     -0.2048000    
 C   -1.915400      3.0800000E-02 -5.8499999E-02
 C   -3.212300      0.5975000     -5.7200000E-02
 C  -0.7989000      0.8713000     -0.1973000    
 C   -1.773400      -1.359500      7.9200000E-02
 C   -3.354300       1.987900     -0.1950000    
 C  -0.9586000       2.250500     -0.3331000    
 C   -4.328800     -0.2430000      8.1400000E-02
 C   -2.233900       2.807800     -0.3319000    
 C   -2.893900      -2.179500      0.2159000    
 C   -4.169100      -1.622300      0.2171000    
 C    1.674300       1.000000      0.2315000    
 C    2.923000      0.2104000      6.7400001E-02
 C    3.979400      0.4488000      0.9213000    
 C    2.983500     -0.7366000     -0.9333000    
 C    5.149900     -0.2939000      0.7675000    
 C    4.154200      -1.479300      -1.087200    
 C    5.237500      -1.258000     -0.2367000    
 H  -0.8045000      -1.849700      9.6799999E-02
 H   -4.341700       2.445000     -0.1989000    
 H  -0.1208000       2.923900     -0.4833000    
 H   -5.335100      0.1709000      8.5000001E-02
 H   0.5853000     -0.6271000     -0.3900000    
 H   -2.358700       3.880600     -0.4470000    
 H   -5.049600      -2.250400      0.3228000    
 H    3.925700       1.191000       1.712100    
 H    2.177400     -0.9145000      -1.637800    
 H    5.993100     -0.1225000       1.430300    
 H    4.225800      -2.224400      -1.874100    
 H    6.149500      -1.835200     -0.3575000    
 H   -3.617300      -3.936900      0.4309000    


%chk=000080704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080704

0 1
O -2.659023 -3.573586 -0.012987
O 1.861271 2.358646 0.170670
N 0.504496 0.440908 0.017497
C -1.926914 0.074118 -0.009790
C -3.266664 0.630296 -0.039883
C -0.802958 0.995650 0.008042
C -1.778930 -1.350383 0.000022
C -3.456683 2.050040 -0.045325
C -1.025872 2.383570 0.007773
C -4.387036 -0.262651 -0.062508
C -2.353253 2.902200 -0.020222
C -2.897714 -2.187361 -0.022920
C -4.221192 -1.646310 -0.055987
C 1.736986 1.099450 0.057533
C 2.941357 0.193290 -0.023056
C 4.162584 0.690260 0.500910
C 2.920053 -1.093642 -0.625183
C 5.333493 -0.093235 0.452209
C 4.094715 -1.875850 -0.677646
C 5.302354 -1.381610 -0.132882
H -0.805268 -1.850730 0.034519
H -4.476745 2.449886 -0.067381
H -0.165911 3.054431 0.033860
H -5.395553 0.165818 -0.085680
H 0.555945 -0.577594 0.028816
H -2.493052 3.988287 -0.021287
H -5.091630 -2.314632 -0.074553
H 4.166710 1.696319 0.932704
H 2.010172 -1.481249 -1.101213
H 6.268968 0.298447 0.866224
H 4.070385 -2.862243 -1.153471
H 6.212465 -1.990140 -0.174303
H -3.508555 -4.079602 -0.015202


