%chk=000071946.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071946

0 1
 O   -2.197000     -0.2644000     -0.3769000    
 O    3.970500     -9.0999998E-02 -0.4715000    
 O    2.350000      -3.465000      0.6794000    
 O    3.832600      -2.655400     -0.8413000    
 O   -5.684800     -0.5006000     -0.4743000    
 O   -4.180900     -0.4504000      -2.072700    
 N    2.704800     -6.7199998E-02 -0.1971000    
 N   -4.474300     -0.4310000     -0.8407000    
 C   0.6871000       1.129700      0.1882000    
 C   3.2499999E-02 -9.3500003E-02  0.3862000    
 C    2.067400       1.115800     -0.1118000    
 C   -1.379500     -0.1757000      0.6982000    
 C   0.7378000      -1.287800      0.2866000    
 C    2.089900      -1.242600     -9.9999998E-03
 C   2.5599999E-02   2.364700      0.2762000    
 C    2.759700       2.313300     -0.3167000    
 C   -2.088000     -0.1854000       1.866700    
 C   0.7235000       3.556700      7.0400000E-02
 C    2.086200       3.530700     -0.2251000    
 C   -3.448400     -0.2874000       1.489800    
 C   -3.461700     -0.3324000      0.1151000    
 C    2.846700      -2.481100     -0.1188000    
 H   0.2237000      -2.235300      0.4286000    
 H   -1.035300       2.434100      0.5020000    
 H    3.821200       2.333400     -0.5487000    
 H   -1.687600     -0.1268000       2.868900    
 H   0.2030000       4.507600      0.1402000    
 H    2.623500       4.461200     -0.3843000    
 H   -4.307700     -0.3234000       2.144600    
 H    2.866100      -4.295400      0.5996000    


%chk=000071946-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071946

0 1
O -2.310027 0.618872 0.246122
O 4.211151 0.162788 -0.058600
O 2.336097 -3.473260 1.033065
O 4.399856 -2.478996 0.644934
O -5.873237 0.440295 0.521650
O -4.481871 2.192702 -0.034120
N 2.907391 0.028271 0.062690
N -4.701589 0.961846 0.308144
C 0.634613 1.097031 -0.077333
C 0.034419 -0.175037 0.304856
C 2.068905 1.171145 -0.190981
C -1.389240 -0.428499 0.466100
C 0.900311 -1.256618 0.539159
C 2.306875 -1.177333 0.425812
C -0.095622 2.299257 -0.354726
C 2.733616 2.370189 -0.558155
C -2.112370 -1.585935 0.821941
C 0.564489 3.479563 -0.716972
C 1.983903 3.520909 -0.820544
C -3.500803 -1.257094 0.823948
C -3.583464 0.086703 0.470510
C 3.158690 -2.368082 0.690218
H 0.512598 -2.233938 0.827283
H -1.182660 2.294819 -0.282448
H 3.823571 2.353846 -0.624454
H -1.690887 -2.561071 1.054388
H -0.023765 4.379905 -0.922192
H 2.488396 4.449856 -1.104394
H -4.343142 -1.904878 1.051043
H 2.930395 -4.251856 1.203854


