%chk=000169705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169705

0 1
 O   -2.257200      -1.651700       1.616200    
 O    1.842300       1.392700      0.7796000    
 O    3.356700     -0.3453000     -0.7726000    
 O    1.236000       2.560500      -1.156400    
 O    3.905000      -1.551800       1.157000    
 N   -4.390600     -0.5980000     -4.6000001E-03
 C   -2.089900      -1.443000      0.2145000    
 C   -2.991000     -0.2979000     -0.2637000    
 C   -5.247500      0.4960000     -0.4592000    
 C  -0.6299000      -1.145900     -4.8300002E-02
 C   -6.708800      0.1295000     -0.2198000    
 C   -4.881500       1.789800      0.2625000    
 C  -6.4900003E-02 -3.7000000E-03  0.4922000    
 C   0.1091000      -2.022500     -0.8239000    
 C    1.281100      0.2705000      0.2494000    
 C    1.454900      -1.748300      -1.066600    
 C    2.041000     -0.6018000     -0.5298000    
 C    1.754600       2.523200     -4.8500001E-02
 C    4.232200     -0.8949000      0.1776000    
 C    2.398200       3.700900      0.6215000    
 C    5.650300     -0.5583000     -0.1768000    
 H   -2.379600      -2.374800     -0.2874000    
 H   -2.701500      0.6013000      0.2854000    
 H   -2.823800     -0.1177000      -1.333100    
 H   -5.119000      0.6442000      -1.539100    
 H   -4.651800      -1.461200     -0.4804000    
 H   -6.914500     -2.4000000E-02  0.8456000    
 H   -7.371900      0.9241000     -0.5788000    
 H   -6.977200     -0.7898000     -0.7524000    
 H   -3.948000       2.226300     -0.1066000    
 H   -4.800000       1.644400       1.345800    
 H   -5.655400       2.548600      9.6400000E-02
 H  -0.6391000      0.6752000       1.116000    
 H  -0.3358000      -2.918000      -1.247500    
 H    2.040900      -2.431900      -1.675100    
 H   -3.204700      -1.801300       1.776200    
 H    1.883600       3.917600       1.560800    
 H    2.320600       4.576000     -2.9800000E-02
 H    3.455500       3.490600      0.8004000    
 H    5.782800      0.5264000     -0.1758000    
 H    6.323400     -0.9939000      0.5669000    
 H    5.894800     -0.9759000      -1.156600    


%chk=000169705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169705

0 1
O -2.541821 -0.873178 1.681577
O 1.993020 1.242431 0.621464
O 3.328975 -0.600496 -0.986788
O 0.289468 2.763781 0.038886
O 4.205297 -0.870619 1.178375
N -4.425794 -0.685675 -0.146578
C -2.173680 -1.549879 0.447342
C -3.073321 -0.948367 -0.697380
C -5.111294 0.574650 -0.577527
C -0.700025 -1.344290 0.141180
C -6.608124 0.460522 -0.225252
C -4.470364 1.801524 0.105931
C -0.061803 -0.155525 0.563184
C 0.023252 -2.296097 -0.617032
C 1.274668 0.085552 0.202235
C 1.372263 -2.060625 -0.961049
C 1.995911 -0.867893 -0.554874
C 1.410270 2.537441 0.529186
C 4.372842 -0.567044 -0.013008
C 2.374060 3.544353 1.112262
C 5.653508 -0.129410 -0.685108
H -2.383102 -2.640810 0.529882
H -2.633064 0.013440 -1.011768
H -3.075605 -1.622089 -1.578810
H -5.020215 0.701220 -1.682247
H -5.049201 -1.498716 -0.240027
H -6.734826 0.306330 0.862309
H -7.143436 1.383604 -0.507747
H -7.087395 -0.384560 -0.756349
H -3.384962 1.866077 -0.086922
H -4.618020 1.751055 1.200086
H -4.933985 2.731909 -0.269686
H -0.622603 0.551006 1.178597
H -0.458804 -3.230309 -0.928007
H 1.950547 -2.787697 -1.539101
H -3.511826 -0.625450 1.503746
H 2.568241 3.306312 2.172442
H 1.952210 4.555704 1.026275
H 3.342279 3.493461 0.585202
H 5.548476 0.907966 -1.048270
H 6.487531 -0.189744 0.028408
H 5.859853 -0.763663 -1.563840


