%chk=000158456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158456

0 1
 O   -5.458600     -0.6546000      -1.147100    
 O   -2.007500       1.461800     -7.1400002E-02
 O    4.054700     -0.7932000      0.6513000    
 O    3.322100      -2.947200      0.4192000    
 O    6.272000      0.7380000     -0.1238000    
 O    7.802500       2.184900      0.8271000    
 N   -4.315000       1.256000     -0.4284000    
 N   -2.917800     -0.6606000     -0.3611000    
 N    1.852200      -1.122900      0.3097000    
 C   -6.360300       2.998600       1.337800    
 C   -4.863300       3.150000       1.081100    
 C   -6.896700       1.586900       1.117800    
 C   -4.445800       2.718000     -0.3218000    
 C   -6.805600       1.126400     -0.3340000    
 C   -5.470400      0.4806000     -0.6634000    
 C   -2.980100      0.7330000     -0.2757000    
 C   -1.777000      -1.491800     -0.2427000    
 C   -1.891000      -2.877600     -0.3400000    
 C  -0.5310000     -0.9057000     -2.6300000E-02
 C   0.6041000      -1.707600      9.3000002E-02
 C  -0.7559000      -3.679400     -0.2208000    
 C   0.4917000      -3.094500     -4.3000001E-03
 C   -3.214300      -3.532100     -0.5712000    
 C    3.089800      -1.745100      0.4546000    
 C    5.391700      -1.278600      0.8196000    
 C    6.323800     -0.1000000       1.024500    
 C    7.064500       1.847600     -8.5100003E-02
 C    6.876300       2.586500      -1.350700    
 C    7.544800       3.722700      -1.567800    
 H   -6.567100       3.297000       2.372800    
 H   -6.911200       3.700400      0.6990000    
 H   -4.607300       4.208400       1.212900    
 H   -4.298500       2.590600       1.836900    
 H   -6.379600      0.8833000       1.781500    
 H   -7.953100       1.583900       1.413900    
 H   -3.485300       3.187200     -0.5615000    
 H   -5.155400       3.079300      -1.074000    
 H   -7.570700      0.3547000     -0.4906000    
 H   -7.028800       1.927600      -1.045200    
 H   -3.791400      -1.149900     -0.5140000    
 H  -0.3644000      0.1577000      5.6299999E-02
 H  -0.8265000      -4.761600     -0.2942000    
 H    1.324700      -3.778700      7.7699997E-02
 H   -3.644300      -3.205100      -1.523700    
 H   -3.125400      -4.623200     -0.6154000    
 H   -3.907600      -3.298700      0.2438000    
 H    1.863400     -0.1075000      0.3704000    
 H    5.434100      -1.944600       1.688200    
 H    5.680000      -1.827000     -8.4600002E-02
 H    6.001000      0.4788000       1.897800    
 H    7.348200     -0.4573000       1.177100    
 H    6.192000       2.194400      -2.094600    
 H    7.406100       4.264800      -2.497400    
 H    8.235800       4.140200     -0.8438000    


%chk=000158456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158456

0 1
O -5.528633 -0.891197 -0.400020
O -2.038656 1.402338 -0.074608
O 4.121615 -0.813348 0.420366
O 3.440874 -3.063701 0.234030
O 6.477937 0.820788 -0.270567
O 7.865028 2.196925 1.012145
N -4.383183 1.155757 -0.254617
N -2.946357 -0.767004 -0.226706
N 1.918838 -1.239890 0.177310
C -6.587556 3.212528 1.158581
C -5.043737 3.212094 1.103012
C -7.237701 1.820709 0.995260
C -4.452748 2.647855 -0.209023
C -6.893620 1.110554 -0.347698
C -5.550745 0.389068 -0.343858
C -3.017289 0.604989 -0.177960
C -1.774015 -1.572356 -0.163374
C -1.960182 -2.990353 -0.246116
C -0.478175 -1.022715 -0.023460
C 0.651328 -1.874419 0.036667
C -0.807252 -3.802955 -0.182644
C 0.495622 -3.279449 -0.043330
C -3.341383 -3.602491 -0.398562
C 3.158172 -1.839838 0.268816
C 5.524008 -1.282835 0.467723
C 6.387541 -0.110374 0.884946
C 7.262496 1.965325 -0.064903
C 7.253589 2.808336 -1.287858
C 7.946475 3.975201 -1.341066
H -6.918086 3.655216 2.118211
H -6.971675 3.878498 0.357544
H -4.685333 4.254420 1.209749
H -4.619889 2.646409 1.955159
H -6.955079 1.161434 1.839312
H -8.337419 1.934499 1.042014
H -3.410786 2.985122 -0.320852
H -5.025361 3.008919 -1.083715
H -7.637142 0.324105 -0.556540
H -6.941524 1.845889 -1.175006
H -3.875706 -1.235426 -0.318055
H -0.369649 0.063450 0.035388
H -0.932172 -4.890369 -0.245086
H 1.368028 -3.933442 0.001743
H -3.851435 -3.261239 -1.320500
H -3.272098 -4.701640 -0.446589
H -4.009563 -3.348596 0.447490
H 1.927409 -0.218090 0.216671
H 5.607200 -2.105919 1.201220
H 5.816325 -1.666572 -0.525968
H 5.961607 0.424209 1.751804
H 7.406563 -0.450445 1.147430
H 6.660762 2.437526 -2.130207
H 7.943332 4.602459 -2.238422
H 8.528000 4.314840 -0.475883


