%chk=000114175.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114175

0 1
 O    6.287500       1.065200      0.1049000    
 N  -0.8066000      0.3984000      -1.530100    
 C    1.862700      -1.027600     -0.7717000    
 C   0.5473000     -0.9855000      8.8999998E-03
 C   5.7100002E-02  0.4393000     -0.3529000    
 C    1.433400     -0.7734000      -2.297600    
 C    2.485100      -2.435200     -0.6078000    
 C   0.6704000      -1.391000       1.489300    
 C    2.748500      0.1389000     -0.1714000    
 C   0.6080000       1.444700      0.6485000    
 C  -0.1451000     -0.5351000      -2.520600    
 C    2.621500      -2.869700      0.8557000    
 C    1.291700      -2.783600       1.603300    
 C    2.155800       1.252800      0.5569000    
 C   -2.177200      2.3700001E-02  -1.225100    
 C    4.140600      0.1181000     -0.3257000    
 C    2.974300       2.227600       1.137200    
 C   -2.791400       1.020300     -0.2468000    
 C    4.933700       1.111800      0.2547000    
 C    4.357400       2.149800      0.9891000    
 C   -4.210700      0.6590000      7.7500001E-02
 C   -4.420300     -0.6756000      0.7489000    
 C   -5.237200       1.476300     -0.2153000    
 C   -5.820300     -0.8497000       1.343500    
 C   -6.673200       1.138200      5.7200000E-02
 C   -6.893000     -0.3377000      0.3897000    
 H  -0.1371000      -1.745900     -0.3926000    
 H   0.7402000      0.9229000      -1.066800    
 H    1.727000      -1.627600      -2.920000    
 H    1.975200      9.4400004E-02  -2.696600    
 H    3.459000      -2.503100      -1.103900    
 H    1.843500      -3.169700      -1.114400    
 H  -0.3245000      -1.393800       1.950300    
 H    1.283300     -0.7030000       2.078000    
 H   0.2427000       1.279600       1.666100    
 H   0.3463000       2.469500      0.3554000    
 H  -0.2963000     -0.1302000      -3.527700    
 H  -0.6291000      -1.520600      -2.501900    
 H    3.368500      -2.250300       1.365100    
 H    2.991800      -3.900700      0.8939000    
 H   0.5965000      -3.528300       1.196300    
 H    1.443700      -3.035200       2.659100    
 H   -2.219700     -0.9944000     -0.8221000    
 H   -2.763900      2.4700001E-02  -2.152800    
 H    4.626600     -0.6706000     -0.8924000    
 H    2.539300       3.058700       1.685200    
 H   -2.235900       1.047600      0.6983000    
 H   -2.734800       2.032600     -0.6683000    
 H    4.980100       2.918700       1.439600    
 H   -4.258300      -1.473300      1.4200000E-02
 H   -3.683500     -0.8149000       1.548900    
 H   -5.046900       2.439200     -0.6821000    
 H    6.683000       1.823800      0.5676000    
 H   -5.994300      -1.906700       1.574500    
 H   -5.886200     -0.3019000       2.292300    
 H   -7.022600       1.761500      0.8889000    
 H   -7.280400       1.400200     -0.8168000    
 H   -7.886900     -0.4732000      0.8306000    
 H   -6.870900     -0.9302000     -0.5339000    


%chk=000114175-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114175

0 1
O 6.375056 0.833956 0.289871
N -0.791311 0.541936 -1.634323
C 1.887558 -1.008703 -0.833124
C 0.541235 -0.914484 -0.088236
C 0.209368 0.553975 -0.532500
C 1.460622 -0.701789 -2.368399
C 2.517148 -2.417875 -0.678095
C 0.597493 -1.345988 1.392043
C 2.750168 0.136797 -0.151091
C 0.609005 1.509909 0.599206
C -0.094071 -0.424970 -2.627672
C 2.567401 -2.874108 0.803281
C 1.173402 -2.784033 1.476846
C 2.153014 1.231115 0.611164
C -2.169716 0.098023 -1.316690
C 4.158171 0.066624 -0.219047
C 3.006068 2.142283 1.268535
C -2.889335 1.115645 -0.396851
C 4.983487 1.005846 0.439074
C 4.414502 2.045448 1.204249
C -4.278155 0.660717 0.027457
C -4.359916 -0.561027 0.941548
C -5.402006 1.317298 -0.376886
C -5.730215 -0.683035 1.647178
C -6.818927 0.907456 -0.010052
C -6.878394 -0.501348 0.628366
H -0.176290 -1.612217 -0.564067
H 1.033916 0.866058 -1.186814
H 1.718718 -1.583668 -2.989233
H 2.060121 0.138731 -2.766069
H 3.522609 -2.476396 -1.138416
H 1.877141 -3.126297 -1.245039
H -0.418156 -1.314444 1.835646
H 1.235872 -0.674417 1.994815
H 0.141632 1.308980 1.581426
H 0.433110 2.572321 0.343869
H -0.206144 -0.017619 -3.651033
H -0.620844 -1.405041 -2.608525
H 3.284361 -2.240503 1.361347
H 2.947998 -3.912696 0.857637
H 0.479528 -3.490281 0.973635
H 1.244683 -3.104511 2.534436
H -2.184359 -0.915869 -0.838874
H -2.732981 0.011952 -2.265710
H 4.652730 -0.731815 -0.780318
H 2.557045 2.967438 1.834721
H -2.259776 1.269770 0.504640
H -2.940549 2.084794 -0.926474
H 5.046780 2.775438 1.726089
H -4.167049 -1.483517 0.353054
H -3.544036 -0.509683 1.692547
H -5.294655 2.211536 -1.009332
H 6.867609 1.536460 0.782240
H -5.811719 -1.663250 2.155209
H -5.813545 0.098026 2.429479
H -7.247444 1.656760 0.690455
H -7.461279 0.943074 -0.913529
H -7.860834 -0.659060 1.113158
H -6.780445 -1.269926 -0.164521


