%chk=000169281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169281

0 1
 O    1.096000      -1.928200       1.195400    
 O    5.056100      0.5759000      0.3717000    
 O   0.8644000       2.788700      0.2608000    
 O   -3.027900       3.523000      0.3406000    
 O   -4.960000      -1.774700      -2.025300    
 O   -4.612600      -2.380700      6.3500002E-02
 N   -1.283100       1.487600      0.6998000    
 N   -4.618400      -1.551900     -0.8561000    
 C    1.723000     -0.7347000      0.9040000    
 C   0.8634000      0.4270000      0.7390000    
 C    3.683700      0.6291000      0.4707000    
 C    3.055300     -0.6337000      0.7762000    
 C    1.363900      -2.893500      0.1968000    
 C   0.6364000      -4.181600      0.5503000    
 C    5.455700      0.2953000     -0.9566000    
 C    1.499500       1.751700      0.4193000    
 C    2.983700       1.759500      0.2989000    
 C    6.974200      0.2262000      -1.009100    
 C  -0.4736000      0.4048000      0.8529000    
 C  -0.8666000      -3.980300      0.6207000    
 C    7.478500     -5.7999998E-02  -2.412500    
 C   -2.464200       1.229500      0.2513000    
 C   -2.947500     -0.1282000     -8.5600004E-02
 C   -3.406400       2.395200      6.3199997E-02
 C   -4.197600     -0.2287000     -0.5423000    
 C   -4.764900       2.121000     -0.4538000    
 C   -5.111200      0.8596000     -0.7340000    
 H    3.704000      -1.490900      0.9263000    
 H    1.025500      -2.534100     -0.7840000    
 H    2.433500      -3.125900      0.1361000    
 H   0.8681000      -4.949900     -0.1955000    
 H   0.9842000      -4.546600       1.523800    
 H    5.037000     -0.6630000      -1.290400    
 H    5.102900       1.085100      -1.632500    
 H    3.467600       2.702500      7.0600003E-02
 H    7.398500       1.170000     -0.6459000    
 H    7.331300     -0.5495000     -0.3211000    
 H  -0.9125000     -0.5134000       1.231700    
 H   -1.142400      -3.276400       1.412200    
 H   -1.364500      -4.931700      0.8334000    
 H   -1.257600      -3.599900     -0.3286000    
 H    7.165600      0.7269000      -3.108500    
 H    8.572100     -0.1025000      -2.420700    
 H    7.097000      -1.015900      -2.780200    
 H   -2.321900      -1.008200     -1.9800000E-02
 H   -5.447400       2.950300     -0.5920000    
 H   -6.108000      0.6512000      -1.110100    


%chk=000169281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169281

0 1
O 1.155776 -2.282883 0.956899
O 4.318830 0.690884 -1.426397
O -0.439052 1.358669 -1.604905
O -2.405980 0.471316 1.737176
O -7.058759 2.861688 -1.832313
O -5.700691 2.047686 -3.481353
N -1.755731 0.169545 -0.946289
N -5.980871 2.263269 -2.235466
C 1.511966 -1.210243 0.152588
C 0.422206 -0.436801 -0.357282
C 3.045916 0.276051 -1.047711
C 2.827030 -0.849202 -0.183587
C 2.233738 -3.106546 1.559319
C 1.557224 -4.213689 2.369814
C 5.504792 -0.038273 -0.921313
C 0.674502 0.707437 -1.209814
C 1.991689 1.048717 -1.581919
C 6.735902 0.653959 -1.509073
C -0.964258 -0.636428 -0.208753
C 0.762865 -5.208419 1.497955
C 8.041964 -0.027003 -1.044112
C -2.939907 0.738647 -0.614413
C -3.852400 1.177163 -1.614528
C -3.220101 0.923979 0.849705
C -5.030817 1.803506 -1.214220
C -4.474676 1.599586 1.165188
C -5.343342 2.025013 0.175990
H 3.674471 -1.419325 0.198623
H 2.858966 -3.529951 0.746264
H 2.858060 -2.454584 2.202810
H 2.349826 -4.748161 2.930486
H 0.892836 -3.746753 3.120653
H 5.517333 0.001334 0.187374
H 5.451716 -1.097708 -1.246895
H 2.206693 1.898242 -2.231496
H 6.664477 0.634335 -2.612130
H 6.727962 1.716658 -1.204626
H -1.418436 -1.444432 0.371385
H -0.028234 -4.687342 0.931976
H 0.284429 -5.983291 2.122444
H 1.422827 -5.718653 0.771323
H 8.081574 -1.086377 -1.360220
H 8.919994 0.483434 -1.476368
H 8.145391 0.003879 0.056852
H -3.623283 1.044809 -2.675131
H -4.691931 1.767302 2.224373
H -6.279684 2.536958 0.415717


