%chk=000078377.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078377

0 1
 O   -6.356100      0.3995000      0.1116000    
 O    6.174500      -1.366500      0.3089000    
 O    6.471100      0.7040000     -0.3714000    
 N    5.726400     -0.2439000     -2.5400000E-02
 C    1.561000      0.3653000      1.2900000E-02
 C   -2.268400     -0.1940000      2.4200000E-02
 C   0.1219000      0.5751000      2.5000000E-02
 C  -0.8106000     -0.4063000     -7.7000000E-03
 C    2.088100     -0.8729000      0.3797000    
 C    2.414000       1.401700     -0.3666000    
 C   -2.769600       1.005800      0.5022000    
 C   -3.109400      -1.199200     -0.4252000    
 C    4.321400     -3.8300000E-02 -1.2400000E-02
 C   -5.009800      0.2036000      8.2699999E-02
 C    3.468300      -1.074600      0.3672000    
 C    3.794100       1.200000     -0.3793000    
 C   -4.149700       1.205800      0.5318000    
 C   -4.489500     -0.9990000     -0.3957000    
 C   -7.177900     -0.6662000     -0.3624000    
 H  -0.1780000       1.619300      4.4199999E-02
 H  -0.5157000      -1.449700     -7.9700001E-02
 H    1.466000      -1.702000      0.7036000    
 H    2.021400       2.373300     -0.6574000    
 H   -2.140000       1.803800      0.8823000    
 H   -2.718700      -2.140700     -0.8022000    
 H    3.843700      -2.050700      0.6638000    
 H    4.427700       2.030100     -0.6810000    
 H   -4.549900       2.142600      0.9102000    
 H   -5.099800      -1.818500     -0.7597000    
 H   -7.002200     -0.8681000      -1.424500    
 H   -8.218500     -0.3390000     -0.2671000    
 H   -7.067500      -1.564400      0.2546000    


%chk=000078377-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078377

0 1
O -6.469618 0.457157 -0.079166
O 6.351580 -1.427677 -0.029702
O 6.640245 0.835266 0.095956
N 5.889994 -0.218704 0.031466
C 1.616067 0.319157 0.017217
C -2.263823 -0.154329 -0.057853
C 0.172349 0.566088 0.014128
C -0.818046 -0.385378 -0.052216
C 2.196242 -0.987549 -0.047807
C 2.503070 1.438174 0.088145
C -2.858914 1.145486 0.008369
C -3.140877 -1.273201 -0.133141
C 4.428948 -0.032216 0.027210
C -5.101633 0.174407 -0.076734
C 3.586036 -1.168276 -0.043339
C 3.897019 1.275916 0.093670
C -4.248563 1.309956 -0.000525
C -4.542120 -1.126767 -0.143367
C -7.402824 -0.672186 -0.161985
H -0.115938 1.624725 0.070149
H -0.523669 -1.443408 -0.108781
H 1.552097 -1.870693 -0.102530
H 2.080187 2.448273 0.139185
H -2.225535 2.036833 0.067283
H -2.712605 -2.281960 -0.185101
H 4.037843 -2.162537 -0.092985
H 4.578815 2.128569 0.147548
H -4.707124 2.302110 0.049913
H -5.177854 -2.014873 -0.202267
H -7.259530 -1.240791 -1.100750
H -8.403407 -0.216900 -0.151568
H -7.290113 -1.348775 0.706776


