%chk=000094749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094749

0 1
 O    4.527000     -0.3970000      0.4025000    
 O  -0.9420000      -1.614200      0.4655000    
 O   -5.271200     -0.1111000     -0.1411000    
 N   -3.173200      0.9337000     -0.3161000    
 N   -3.249000      -1.229700      0.2523000    
 C   -1.879400      0.5294000     -0.1468000    
 C   0.6018000      0.8498000     -0.1134000    
 C  -0.7733000       1.287300     -0.2946000    
 C   -1.905700     -0.9084000      0.2323000    
 C    1.213300      0.9694000       1.134600    
 C    1.309400      0.3111000      -1.188000    
 C   -4.050400     -0.1355000     -7.5499997E-02
 C    3.240000      1.1500000E-02  0.2332000    
 C    2.532400      0.5503000       1.307800    
 C    2.628400     -0.1081000      -1.014700    
 C    5.191900     -0.9385000     -0.7380000    
 H  -0.8840000       2.332800     -0.5752000    
 H   -3.448100       1.873000     -0.5779000    
 H   0.6750000       1.387300       1.981900    
 H   0.8457000      0.2118000      -2.166600    
 H   -3.611100      -2.149300      0.4779000    
 H    3.003500      0.6459000       2.282200    
 H    3.119400     -0.5172000      -1.891100    
 H    5.294700     -0.1942000      -1.534800    
 H    4.708000      -1.856800      -1.087500    
 H    6.204400      -1.210900     -0.4226000    


%chk=000094749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094749

0 1
O 4.837307 0.199533 0.011730
O -1.411320 -1.759108 -1.308554
O -5.527669 0.196815 -0.071838
N -3.252649 0.801664 0.345324
N -3.618949 -1.031980 -0.854667
C -1.956463 0.300236 0.027900
C 0.618296 0.646624 0.272481
C -0.800676 0.930589 0.447187
C -2.212392 -0.937405 -0.780585
C 1.540379 1.565013 0.876661
C 1.164511 -0.461646 -0.444550
C -4.290375 0.019132 -0.175665
C 3.443850 0.283882 0.057036
C 2.925146 1.393916 0.775266
C 2.555726 -0.641812 -0.551355
C 5.432756 -0.930289 -0.712122
H -0.986340 1.841799 1.039616
H -3.441664 1.643775 0.885640
H 1.151225 2.426391 1.434042
H 0.485953 -1.178883 -0.916363
H -4.113706 -1.776365 -1.344529
H 3.626016 2.095669 1.236621
H 2.936191 -1.503540 -1.108075
H 5.149568 -0.913507 -1.781776
H 5.133883 -1.895641 -0.261139
H 6.518898 -0.792460 -0.611984


