%chk=000165809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165809

0 1
 O   -4.548800      -2.069800     -0.2258000    
 O   -5.852400      0.3793000     -0.1145000    
 O    4.841900     -0.2383000      -1.869100    
 O    6.055500     -0.2241000      0.6310000    
 N   0.4146000       1.348500      0.3741000    
 N  -0.2236000       2.547400      0.4274000    
 C   0.4896000      -1.041300      0.1893000    
 C   -1.699200      0.2089000      0.1445000    
 C  -0.3117000      0.2181000      0.2363000    
 C    1.983800     -0.8214000      0.3047000    
 C   -2.357900       1.446300      0.1998000    
 C   -2.448200     -0.9713000      1.2000001E-03
 C   -3.759400       1.492000      0.1116000    
 C   -3.839700     -0.9151000     -8.5600004E-02
 C    2.727300     -0.6289000     -0.8458000    
 C   -4.494000      0.3143000     -3.0500000E-02
 C    2.570100     -0.8185000       1.557600    
 C   -1.571000       2.584000      0.3420000    
 C    4.103300     -0.4268000     -0.7400000    
 C    4.712800     -0.4205000      0.5146000    
 C    3.946200     -0.6164000       1.663500    
 C   -4.970400      -2.720800      0.9710000    
 C   -6.415200      0.5110000      -1.418300    
 C    4.142600     -0.2589000      -3.111900    
 C    6.503900       1.122400      0.7730000    
 H   0.2867000      -1.574600     -0.7488000    
 H   0.1743000      -1.709400       1.001700    
 H   -1.969000      -1.945900     -4.6200000E-02
 H   -4.279600       2.446800      0.1545000    
 H    2.196200     -0.6423000      -1.791000    
 H    1.981000     -0.9685000       2.457700    
 H   -2.003500       3.578000      0.3926000    
 H    4.414400     -0.6129000       2.644100    
 H   -5.627800      -2.068000       1.553900    
 H   -4.104700      -3.016300       1.572100    
 H   -5.527200      -3.620100      0.6939000    
 H   -6.079400       1.440500      -1.888700    
 H   -7.503800      0.5423000      -1.319900    
 H   -6.144900     -0.3458000      -2.043400    
 H    3.417200      0.5589000      -3.180600    
 H    3.688600      -1.237200      -3.303700    
 H    4.883500     -9.3000002E-02  -3.901000    
 H    6.095700       1.568100       1.685600    
 H    6.215200       1.718900     -9.8300003E-02
 H    7.595000       1.114400      0.8453000    


%chk=000165809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165809

0 1
O -3.321931 -1.663355 1.323150
O -4.929909 0.728102 0.866136
O 4.423426 1.055428 -0.188714
O 4.660564 -0.957109 1.823598
N 0.033845 0.657506 -3.305942
N -0.706946 1.842995 -3.470667
C 0.591187 -1.455047 -2.260519
C -1.469433 -0.065221 -1.487974
C -0.328335 -0.248245 -2.358932
C 1.644021 -1.303803 -1.157420
C -2.239015 1.139069 -1.674496
C -1.856256 -0.980001 -0.463044
C -3.398280 1.374951 -0.878726
C -2.977461 -0.724823 0.330549
C 2.502685 -0.175820 -1.172988
C -3.785965 0.451363 0.094253
C 1.803966 -2.274980 -0.144690
C -1.786322 2.048522 -2.688979
C 3.509618 -0.012874 -0.196676
C 3.651588 -0.985849 0.844384
C 2.797528 -2.107493 0.846762
C -3.271319 -1.151963 2.717248
C -6.022888 -0.273276 0.767058
C 4.339421 2.023384 -1.288071
C 4.838780 0.287976 2.598591
H 1.093496 -1.545884 -3.240735
H 0.008559 -2.379593 -2.098292
H -1.271387 -1.879309 -0.254178
H -4.010586 2.270030 -1.030173
H 2.377014 0.559693 -1.974604
H 1.163361 -3.164772 -0.126337
H -2.321147 2.987454 -2.875528
H 2.940100 -2.846868 1.641244
H -3.928405 -0.272920 2.841072
H -2.230260 -0.887896 2.979471
H -3.617119 -1.987129 3.344038
H -6.432954 -0.276568 -0.259843
H -6.790747 0.066889 1.477366
H -5.662353 -1.282067 1.033846
H 3.366942 2.551796 -1.287646
H 4.490876 1.529441 -2.266438
H 5.153524 2.739110 -1.101299
H 3.905407 0.542977 3.138040
H 5.135193 1.123309 1.944213
H 5.635914 0.056871 3.321794


