%chk=000094802.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094802

0 1
 O   -2.682900      0.5112000      0.4515000    
 O    4.966900     -0.3997000     -0.2243000    
 O   -1.432900      -1.402000      0.5381000    
 N  -0.4516000      0.7018000      0.2040000    
 C   -3.845400     -0.1910000     -3.5999999E-03
 C   -5.062500      0.7101000      0.1396000    
 C   -3.632600     -0.6314000      -1.443800    
 C   0.9116000      0.4252000      9.6600004E-02
 C   -1.504800     -0.1859000      0.4100000    
 C    1.820000       1.462900     -0.1115000    
 C    1.365800     -0.8900000      0.1963000    
 C    3.182700       1.185600     -0.2201000    
 C    2.728600      -1.167300      8.7700002E-02
 C    3.637100     -0.1295000     -0.1205000    
 H   -3.999100      -1.069600      0.6353000    
 H   -5.976900      0.2005000     -0.1788000    
 H   -5.182200       1.025800       1.181600    
 H   -4.943800       1.623500     -0.4535000    
 H   -4.546100      -1.073300      -1.855200    
 H   -2.839500      -1.378700      -1.540500    
 H   -3.346100      0.2184000      -2.073800    
 H  -0.7132000       1.681300      0.1209000    
 H    1.479800       2.492300     -0.1912000    
 H   0.7229000      -1.744400      0.3566000    
 H    3.880300       2.003100     -0.3820000    
 H    3.077700      -2.193500      0.1663000    
 H    5.447700      0.4338000     -0.3660000    


%chk=000094802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094802

0 1
O -2.634242 0.577204 -0.137599
O 5.170352 -0.377903 0.184486
O -1.406630 -1.425630 0.121812
N -0.382608 0.701948 -0.104965
C -3.918278 -0.207410 -0.127268
C -4.983920 0.773399 0.366905
C -4.180546 -0.758477 -1.535986
C 1.006668 0.399717 -0.027479
C -1.449508 -0.177247 -0.027630
C 1.922060 1.478570 -0.123188
C 1.502980 -0.922359 0.137352
C 3.311821 1.250517 -0.056259
C 2.890853 -1.147064 0.204023
C 3.798160 -0.068010 0.108288
H -3.779170 -1.042614 0.584263
H -5.962174 0.263668 0.431353
H -4.725761 1.162721 1.366516
H -5.081496 1.626900 -0.327193
H -5.134782 -1.316731 -1.551974
H -3.375001 -1.447547 -1.840447
H -4.247348 0.065539 -2.268581
H -0.644986 1.682606 -0.224420
H 1.551785 2.503402 -0.250634
H 0.801165 -1.755291 0.212145
H 4.005282 2.097838 -0.132371
H 3.286579 -2.159028 0.330921
H 5.720244 0.440482 0.107629


