%chk=000041807.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041807

0 1
 O    3.606300      0.2688000      0.9209000    
 O    4.012900      0.8049000      -1.321200    
 N   -3.607500     -0.1737000      0.2494000    
 C   -1.211500      4.6200000E-02 -7.6200001E-02
 C   -3.088900      0.9656000       1.032300    
 C   -2.430500     -0.9118000     -0.2847000    
 C   -1.626700      0.6304000       1.286900    
 C   -1.172600       1.220500      -1.107000    
 C   -3.162000       2.229000      0.1597000    
 C   -2.458900       2.055800      -1.189800    
 C   0.1683000     -0.6135000      2.7200000E-02
 C   -2.706200      -1.357700      -1.721600    
 C   -4.469700      -1.037700       1.051300    
 C    1.273800      0.1370000      0.4314000    
 C   0.3218000      -1.966000     -0.2820000    
 C    2.529300     -0.4636000      0.5261000    
 C    1.577100      -2.566400     -0.1873000    
 C    2.680900      -1.815400      0.2169000    
 C    4.300000      0.8841000     -0.1340000    
 C    5.464000       1.663600      0.4018000    
 H   -3.631000       1.140500       1.968700    
 H   -2.279100      -1.810300      0.3301000    
 H   -1.042100       1.508900       1.583300    
 H   -1.532400     -0.1161000       2.087400    
 H  -0.9206000      0.8427000      -2.106100    
 H  -0.3644000       1.915600     -0.8449000    
 H   -2.695100       3.062900      0.6993000    
 H   -4.207300       2.514000     -1.1500000E-02
 H   -3.155600       1.584800      -1.891700    
 H   -2.235700       3.039100      -1.620800    
 H   -1.815500      -1.774600      -2.198900    
 H   -3.481700      -2.132000      -1.736700    
 H   -3.060400     -0.5418000      -2.356900    
 H   -3.956300      -1.437500       1.933200    
 H   -4.837100      -1.878600      0.4532000    
 H   -5.351800     -0.4832000       1.390000    
 H    1.175100       1.189300      0.6839000    
 H  -0.4983000      -2.598900     -0.5976000    
 H    1.696000      -3.619200     -0.4270000    
 H    3.655800      -2.289800      0.2894000    
 H    5.106000       2.439800       1.082500    
 H    5.992600       2.142500     -0.4272000    
 H    6.154700      0.9897000      0.9145000    


%chk=000041807-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041807

0 1
O 3.858538 0.058867 0.293800
O 3.113714 2.280090 0.571925
N -3.551616 -0.093868 0.368617
C -1.184512 -0.008323 -0.168560
C -2.936066 1.131304 0.990421
C -2.447028 -0.944251 -0.197569
C -1.450460 0.746058 1.175609
C -1.207370 1.059923 -1.320425
C -3.034995 2.328749 0.011702
C -2.514488 1.899058 -1.383210
C 0.164131 -0.742503 -0.153958
C -2.842368 -1.551131 -1.558147
C -4.510891 -0.829333 1.207191
C 1.341378 0.030646 0.057668
C 0.298416 -2.143948 -0.322349
C 2.601090 -0.601381 0.089891
C 1.571431 -2.760736 -0.288110
C 2.735066 -1.996576 -0.084060
C 4.034947 1.439168 0.515443
C 5.513769 1.722620 0.668086
H -3.436410 1.365420 1.949043
H -2.240362 -1.784429 0.513508
H -0.789025 1.618697 1.314477
H -1.310995 0.061184 2.033373
H -1.039177 0.558776 -2.293614
H -0.342906 1.734728 -1.167839
H -2.445955 3.176459 0.417588
H -4.085830 2.664044 -0.074542
H -3.311071 1.299383 -1.857813
H -2.348904 2.785966 -2.025102
H -2.030976 -2.164375 -1.990483
H -3.731240 -2.198580 -1.443043
H -3.100946 -0.761092 -2.281767
H -4.057287 -1.283904 2.125530
H -4.967598 -1.648759 0.621493
H -5.327999 -0.157156 1.524178
H 1.278356 1.109090 0.204467
H -0.583708 -2.769940 -0.477947
H 1.654710 -3.844785 -0.422156
H 3.730444 -2.449005 -0.054462
H 5.936904 1.114001 1.485501
H 5.663574 2.791045 0.878961
H 6.049413 1.446699 -0.257016


