%chk=000059313.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059313

0 1
 O   -2.362500     -4.7800001E-02   1.363500    
 O    2.717200     -9.9100001E-02   1.228000    
 N   -1.975900       2.484500      0.3012000    
 N   -3.360300     -0.6908000     -0.6279000    
 N    4.080200     -0.1719000     -0.6516000    
 C   -2.044800       1.339800     -0.6043000    
 C  -0.6815000       1.035200      -1.246700    
 C   0.4328000      0.6995000     -0.2428000    
 C   -3.987900      -1.889000     -0.1218000    
 C   -2.588000      0.1423000      0.1700000    
 C    1.774200      0.4515000     -0.9337000    
 C    5.292700     -0.5946000      1.1100000E-02
 C   -4.761500      -2.573000      -1.254700    
 C   -2.906100      -2.833800      0.4119000    
 C   -4.954700      -1.516000       1.008000    
 C    2.885100      4.1700002E-02  1.9700000E-02
 C   -1.403800       3.644600     -0.3820000    
 C   -3.304000       2.804300      0.8245000    
 C    5.041200      -1.927200      0.7261000    
 C    5.703700      0.4721000       1.031500    
 C    6.403800     -0.7723000      -1.030000    
 H   -2.745100       1.566400      -1.421600    
 H  -0.8057000      0.1619000      -1.902500    
 H  -0.3619000       1.843700      -1.914300    
 H   0.1582000     -0.1955000      0.3282000    
 H   0.5555000       1.508800      0.4859000    
 H    2.092400       1.360700      -1.458000    
 H    1.662800     -0.3438000      -1.681000    
 H   -3.480300     -0.4612000      -1.610400    
 H   -4.094800      -2.841800      -2.082400    
 H   -5.534200      -1.910500      -1.662100    
 H   -5.252600      -3.489000     -0.9082000    
 H   -2.393600      -2.449300       1.298600    
 H   -2.141600      -3.028500     -0.3497000    
 H   -3.341400      -3.799100      0.6965000    
 H   -4.451000      -1.122100       1.895600    
 H   -5.674400     -0.7579000      0.6767000    
 H   -5.525700      -2.393100       1.334800    
 H    4.107400     -2.1100000E-02  -1.656300    
 H   -1.919700       3.873900      -1.321800    
 H   -1.473200       4.533700      0.2568000    
 H  -0.3337000       3.527500     -0.5776000    
 H   -3.249900       3.684000       1.477300    
 H   -4.018900       3.029200      2.4000000E-02
 H   -3.725700       2.011500       1.449100    
 H    5.975100      -2.328100       1.137500    
 H    4.636500      -2.675900      3.4899998E-02
 H    4.342700      -1.842700       1.563700    
 H    6.670400      0.2237000       1.485200    
 H    5.804500       1.454700      0.5557000    
 H    4.987500      0.5790000       1.851800    
 H    7.342200      -1.091700     -0.5635000    
 H    6.596900      0.1645000      -1.565800    
 H    6.127300      -1.523700      -1.778900    


%chk=000059313-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059313

0 1
O -1.359366 -1.054630 0.505743
O 4.254103 1.241284 -1.979778
N -1.609123 1.882759 1.085451
N -3.280144 -0.669318 -0.765043
N 3.384833 0.144780 -0.107832
C -1.857913 1.266710 -0.237911
C -0.671143 1.473414 -1.229083
C 0.700210 1.032422 -0.673332
C -3.761876 -2.083475 -0.886865
C -2.137712 -0.256403 -0.105226
C 1.820311 1.188187 -1.724055
C 4.675368 -0.300526 0.507480
C -5.062843 -2.032538 -1.723555
C -2.693280 -2.941507 -1.612942
C -4.055966 -2.660932 0.522928
C 3.259082 0.866756 -1.277912
C -1.368440 3.337803 1.007036
C -2.650322 1.555646 2.082551
C 5.545608 0.935194 0.857881
C 5.433135 -1.232781 -0.474326
C 4.303736 -1.073432 1.796021
H -2.766956 1.734783 -0.717576
H -0.899397 0.903130 -2.152648
H -0.629681 2.538600 -1.531179
H 0.604197 -0.018080 -0.339074
H 0.930559 1.628605 0.229843
H 1.852950 2.224551 -2.111609
H 1.610549 0.545370 -2.603655
H -3.859302 0.054797 -1.197097
H -4.874678 -1.618729 -2.732411
H -5.836945 -1.418906 -1.224485
H -5.468787 -3.051027 -1.847301
H -1.755478 -2.954380 -1.034297
H -2.484574 -2.536221 -2.619877
H -3.056342 -3.979507 -1.723235
H -3.140006 -2.655698 1.135733
H -4.831963 -2.063695 1.035808
H -4.418246 -3.701564 0.435321
H 2.528039 -0.108582 0.389383
H -2.228889 3.906485 0.568022
H -1.188491 3.727427 2.024321
H -0.471783 3.555393 0.403383
H -2.377404 2.008232 3.052049
H -3.668063 1.931299 1.801188
H -2.703481 0.463867 2.224401
H 6.495549 0.609241 1.320271
H 5.017173 1.593837 1.571215
H 5.771272 1.509455 -0.055278
H 6.383290 -1.567923 -0.019133
H 4.825478 -2.124893 -0.712607
H 5.655980 -0.694903 -1.410196
H 5.219987 -1.434110 2.294559
H 3.672419 -1.953054 1.567674
H 3.760667 -0.425012 2.509453


