%chk=000139131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139131

0 1
 O  -2.5100000E-02   3.391400     -2.6100000E-02
 O  -0.7593000     -0.1773000       2.135700    
 O   0.8064000     -0.2712000      -2.124100    
 N  -0.8872000       2.605800      0.7413000    
 N   0.8463000       2.599900     -0.7768000    
 C  -0.5082000       1.400800      0.4276000    
 C   0.5106000       1.349600     -0.4640000    
 C   -2.393600     -0.3656000      0.4731000    
 C    2.427500     -0.3830000     -0.4418000    
 C   -1.215700      0.2488000       1.064300    
 C    1.200200      0.2407000      -1.052500    
 C   -2.901800      0.1181000     -0.7326000    
 C    2.900500      0.1394000      0.7327000    
 C   -3.015200      -1.439100       1.111200    
 C    3.006200      -1.440400      -1.092200    
 C   -4.031600     -0.4714000      -1.299900    
 C    4.037100     -0.4382000       1.298700    
 C   -4.144800      -2.028600      0.5438000    
 C    4.142700      -2.018100     -0.5261000    
 C   -4.653000      -1.544700     -0.6618000    
 C    4.658100      -1.516900      0.6694000    
 H   -2.448900      0.9510000      -1.261700    
 H    2.442100      0.9764000       1.247100    
 H   -2.639300      -1.835200       2.051000    
 H    2.624500      -1.848100      -2.022300    
 H   -4.427700     -9.4999999E-02  -2.238600    
 H    4.438700     -4.8400000E-02   2.229500    
 H   -4.629000      -2.864500       1.040300    
 H    4.626600      -2.858200      -1.015800    
 H   -5.532600      -2.003800      -1.103600    
 H    5.542900      -1.966800       1.110100    


%chk=000139131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139131

0 1
O -0.027630 2.898714 0.119763
O -0.906092 -1.321435 1.258719
O 0.915739 -1.218473 -1.306868
N -1.177860 2.045606 0.374510
N 1.135490 2.083799 -0.192605
C -0.718381 0.791139 0.218066
C 0.696355 0.814192 -0.123370
C -2.933776 -0.575933 0.161292
C 2.935209 -0.514515 -0.167620
C -1.514206 -0.442280 0.578972
C 1.511518 -0.377643 -0.570039
C -3.587542 0.379137 -0.665533
C 3.574783 0.390060 0.724556
C -3.647594 -1.724505 0.607003
C 3.668487 -1.613488 -0.698617
C -4.934425 0.185597 -1.035859
C 4.926891 0.195964 1.075078
C -4.990867 -1.912160 0.235677
C 5.016908 -1.801784 -0.346728
C -5.637999 -0.956312 -0.587230
C 5.649823 -0.896264 0.541543
H -3.051286 1.265667 -1.015091
H 3.023407 1.238058 1.139932
H -3.123891 -2.449849 1.238214
H 3.155856 -2.300473 -1.379868
H -5.435303 0.922238 -1.672591
H 5.416765 0.893512 1.762399
H -5.536628 -2.796364 0.581342
H 5.577756 -2.647563 -0.758130
H -6.684122 -1.103370 -0.878126
H 6.700014 -1.043874 0.817108


