%chk=000059788.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059788

0 1
 O   -3.142400      0.4255000     -0.5959000    
 O  -0.6651000      0.5127000      -1.623600    
 N   -1.898700       2.833200      0.2744000    
 C   -3.350400       2.666700      0.2136000    
 C   -3.733300       1.211500      0.4307000    
 C   -2.801600     -0.8612000     -0.2701000    
 C   -1.481700      -1.290000     -0.3637000    
 C   -1.385100       2.373900       1.564400    
 C   -1.534500       4.231300      4.7800001E-02
 C   -3.799100      -1.732000      0.1566000    
 C   -1.155500      -2.603700     -2.6799999E-02
 C  -0.4268000     -0.3900000     -0.8086000    
 C   -3.473000      -3.045700      0.4937000    
 C   -2.151300      -3.481500      0.4018000    
 C   0.9644000     -0.5989000     -0.2823000    
 C    3.369100      5.3900000E-02 -0.2392000    
 C    1.971600      0.1892000     -0.6864000    
 C    3.643000     -0.6324000      0.9328000    
 C    4.382300      0.6148000     -0.9997000    
 C    4.965900     -0.7611000       1.356000    
 C    5.705200      0.4859000     -0.5767000    
 C    5.997000     -0.2019000      0.6012000    
 H   -3.698600       2.972100     -0.7811000    
 H   -3.860400       3.295500      0.9541000    
 H   -4.822300       1.124000      0.3305000    
 H   -3.483200      0.8515000       1.435800    
 H   -1.425500       1.285900       1.666500    
 H   -1.908200       2.834100       2.410800    
 H  -0.3210000       2.623400       1.658100    
 H  -0.4451000       4.348600      3.6699999E-02
 H   -1.945700       4.896600      0.8158000    
 H   -1.894100       4.569500     -0.9304000    
 H   -4.834000      -1.408600      0.2242000    
 H  -0.1495000      -3.001000     -0.1215000    
 H   -4.248800      -3.730500      0.8234000    
 H   -1.899600      -4.507500      0.6548000    
 H    1.114700      -1.386100      0.4437000    
 H    1.791200      0.9740000      -1.417100    
 H    2.874400      -1.063400       1.566200    
 H    4.171400       1.152500      -1.920300    
 H    5.193400      -1.291700       2.276000    
 H    6.508300      0.9212000      -1.164200    
 H    7.026900     -0.3010000      0.9313000    


%chk=000059788-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059788

0 1
O -2.475208 0.580519 -0.071443
O -0.167223 0.365443 -1.706616
N -2.906551 3.359717 1.195758
C -3.570276 2.720707 0.041289
C -3.771929 1.213803 0.234913
C -2.351610 -0.796069 0.064407
C -1.071311 -1.359674 -0.249350
C -3.839778 3.733580 2.271423
C -1.976686 4.443926 0.832700
C -3.401455 -1.633126 0.526187
C -0.885725 -2.753110 -0.057300
C 0.046416 -0.540566 -0.839613
C -3.188320 -3.019012 0.684449
C -1.928461 -3.588513 0.396550
C 1.430152 -0.863760 -0.379113
C 3.930298 -0.411679 -0.582575
C 2.516035 -0.243519 -0.938505
C 4.375572 -1.257853 0.476399
C 4.911112 0.305190 -1.328451
C 5.746564 -1.381221 0.771055
C 6.284706 0.181356 -1.034302
C 6.708835 -0.663509 0.017390
H -2.941491 2.851186 -0.857191
H -4.563622 3.187803 -0.181312
H -4.541064 0.823020 -0.464068
H -4.071383 0.982679 1.276873
H -4.444037 2.859600 2.576414
H -4.548345 4.552932 1.980766
H -3.272975 4.071178 3.157554
H -1.430482 4.777181 1.734079
H -2.478218 5.341728 0.388110
H -1.235229 4.065565 0.108244
H -4.381897 -1.211581 0.763965
H 0.085695 -3.194227 -0.308060
H -4.010811 -3.651910 1.036579
H -1.762855 -4.663823 0.516065
H 1.537694 -1.580645 0.443024
H 2.291782 0.466310 -1.749533
H 3.644878 -1.815494 1.072513
H 4.583079 0.960726 -2.144417
H 6.071578 -2.034053 1.588874
H 7.021974 0.740550 -1.620646
H 7.774875 -0.762054 0.250217


