%chk=000094989.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094989

0 1
 O  -0.8265000      -2.551400     -0.7859000    
 O    4.686700      0.9433000     -7.8000002E-02
 O    4.334900      -1.208100      0.1795000    
 N    3.911300     -3.5200000E-02  4.3200001E-02
 C  -0.8703000      -1.612200      0.2724000    
 C   0.2730000     -0.6263000      0.1399000    
 C   -2.077400     -0.7008000      0.1656000    
 C  -0.2228000      0.6884000     -1.0300000E-02
 C   -1.669100      0.6427000      5.5000000E-03
 C    1.632800     -0.8862000      0.1616000    
 C   0.6468000       1.758100     -0.1443000    
 C   -3.417300      -1.046400      0.2165000    
 C   -2.607400       1.655000     -0.1085000    
 C    2.509000      0.1921000      2.6100000E-02
 C    2.020900       1.501200     -0.1254000    
 C   -4.362700     -2.5800001E-02  0.1016000    
 C   -3.961900       1.311500     -5.9500001E-02
 H  -0.8529000      -2.113300       1.246300    
 H    1.976500      -1.908400      0.2831000    
 H   0.2845000       2.774000     -0.2617000    
 H   -3.728600      -2.077500      0.3425000    
 H   -2.313600       2.691900     -0.2332000    
 H    2.692300       2.350500     -0.2316000    
 H   -5.421900     -0.2663000      0.1375000    
 H   -4.716600       2.088700     -0.1466000    
 H  -0.1033000      -3.173300     -0.5966000    


%chk=000094989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094989

0 1
O -0.933580 -2.660628 -0.734711
O 4.782088 0.993177 -0.125690
O 4.403847 -1.242089 0.133895
N 3.992011 -0.021607 0.007247
C -0.874451 -1.616991 0.302633
C 0.288465 -0.627243 0.164367
C -2.091527 -0.708300 0.177743
C -0.213497 0.703438 0.018421
C -1.687243 0.651940 0.035428
C 1.661194 -0.884961 0.163966
C 0.675004 1.793033 -0.119144
C -3.448181 -1.060328 0.180873
C -2.648972 1.678274 -0.079508
C 2.534591 0.222349 0.014290
C 2.063430 1.549194 -0.123738
C -4.415546 -0.030565 0.056063
C -4.018376 1.324713 -0.066397
H -0.843219 -2.096464 1.306699
H 2.087717 -1.885856 0.276409
H 0.301146 2.816252 -0.225518
H -3.752925 -2.108290 0.261816
H -2.350041 2.726989 -0.182438
H 2.789715 2.358743 -0.232478
H -5.481287 -0.283488 0.052251
H -4.781754 2.104999 -0.157090
H -0.222210 -3.330089 -0.565687


