%chk=000116087.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116087

0 1
 O   0.2985000       2.166400     -0.3562000    
 O   0.8094000      -2.458400     -0.2462000    
 N   0.6095000     -0.1298000     -0.3271000    
 N   -1.553800      0.8115000      1.8400000E-02
 N   -3.452300     -0.6659000      0.4074000    
 C    2.032600      6.3900001E-02 -0.5857000    
 C    2.841500      0.2073000      0.6978000    
 C  -0.1846000       1.035800     -0.2309000    
 C   0.1363000      -1.431800     -0.1820000    
 C   -2.110500     -0.4639000      0.1666000    
 C   -1.311300      -1.540000      7.2899997E-02
 C    4.324200      0.4316000      0.4369000    
 C   -2.439500       1.973300      0.1281000    
 H    2.174100      0.9500000      -1.215600    
 H    2.409200     -0.7925000      -1.158000    
 H    2.454400       1.045500       1.289700    
 H    2.718900     -0.6905000       1.315500    
 H   -1.704600      -2.546800      0.1834000    
 H    4.484800       1.346200     -0.1427000    
 H    4.865900      0.5281000       1.382900    
 H    4.754300     -0.4080000     -0.1183000    
 H   -1.896000       2.912700     -3.4000000E-03
 H   -2.900400       1.983600       1.120900    
 H   -3.209400       1.914900     -0.6479000    
 H   -4.081500      0.1215000      0.4832000    
 H   -3.813000      -1.606900      0.5081000    


%chk=000116087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116087

0 1
O 0.244919 2.184645 -0.333187
O 0.941225 -2.461155 -0.305865
N 0.591966 -0.133952 -0.338426
N -1.596685 0.777036 0.025598
N -3.478937 -0.619558 0.405886
C 2.045067 0.069219 -0.585973
C 2.843987 0.237813 0.725371
C -0.204130 1.004423 -0.223889
C 0.118349 -1.499514 -0.195182
C -2.120439 -0.515024 0.161838
C -1.293701 -1.627337 0.055053
C 4.346803 0.438125 0.437670
C -2.454633 1.971195 0.140298
H 2.155342 0.967243 -1.216595
H 2.397660 -0.822961 -1.129520
H 2.447020 1.108144 1.280760
H 2.695119 -0.660880 1.352090
H -1.695079 -2.635725 0.162448
H 4.517447 1.339978 -0.179842
H 4.917863 0.559080 1.375549
H 4.767289 -0.429845 -0.103704
H -1.802128 2.846218 0.002532
H -2.922473 2.032942 1.140456
H -3.231354 1.981626 -0.646788
H -4.086542 0.189707 0.480874
H -3.887255 -1.543644 0.510346


