%chk=000094988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094988

0 1
 O  -0.1944000      -1.234300      -1.520300    
 N   0.3403000     -0.4685000     -0.6461000    
 N  -0.2931000      0.3285000      0.1310000    
 C    4.741500       1.696100      0.5132000    
 C    3.798400      0.5968000      7.1300000E-02
 C   -4.909700      -1.186200       1.385600    
 C    4.515900     -0.5879000     -0.2083000    
 C   -3.849800     -0.3789000      0.6657000    
 C    6.082700      0.9955000      0.4516000    
 C    5.922700     -0.3423000      2.5900001E-02
 C   -4.448400      0.5438000     -0.2214000    
 C   -6.184000     -0.6126000      0.8019000    
 C   -5.885900      0.3998000     -0.1375000    
 C    2.422700      0.6583000     -6.5800004E-02
 C   -2.475100     -0.4673000      0.7979000    
 C    3.853700      -1.728400     -0.6308000    
 C    1.787600     -0.4921000     -0.4882000    
 C   -3.666200       1.391000     -0.9884000    
 C    7.329900       1.514800      0.7514000    
 C    7.021300      -1.175500     -0.1032000    
 C   -7.489500     -0.9695000       1.090600    
 C   -1.687000      0.3868000      2.4499999E-02
 C   -6.903100       1.066900     -0.7995000    
 C    2.463700      -1.673000     -0.7714000    
 C   -2.276500       1.306600     -0.8598000    
 C    8.437100      0.6746000      0.6211000    
 C    8.284500     -0.6571000      0.1982000    
 C   -8.514700     -0.2969000      0.4231000    
 C   -8.224500      0.7112000     -0.5124000    
 H    4.516000       2.012300       1.535800    
 H    4.711100       2.536900     -0.1858000    
 H   -4.817300      -2.249200       1.144700    
 H   -4.864300      -1.010700       2.464300    
 H    1.899000       1.583900      0.1444000    
 H   -2.027500      -1.179700       1.483100    
 H    4.386600      -2.647900     -0.8487000    
 H   -4.106600       2.106100      -1.675100    
 H    7.449200       2.541900       1.077900    
 H    6.919400      -2.205400     -0.4285000    
 H   -7.714900      -1.746900       1.812000    
 H   -6.694900       1.847000      -1.524000    
 H    1.938200      -2.567400      -1.094600    
 H   -1.649500       1.966300      -1.455700    
 H    9.430100       1.053100      0.8492000    
 H    9.161900      -1.291800      0.1045000    
 H   -9.550500     -0.5544000      0.6281000    
 H   -9.040000       1.220600      -1.019300    


%chk=000094988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094988

0 1
O -0.105860 -2.173008 0.387120
N 0.384307 -0.952293 0.220186
N -0.300701 0.172458 0.065260
C 4.747462 1.744542 -0.185855
C 3.846400 0.529410 0.000057
C -5.148680 -1.654674 0.264864
C 4.643075 -0.646007 0.178897
C -3.994397 -0.664573 0.148911
C 6.147254 1.146965 -0.094976
C 6.064256 -0.263918 0.120492
C -4.507730 0.658760 -0.021935
C -6.378116 -0.762287 0.142699
C -5.977098 0.600723 -0.025290
C 2.447719 0.460372 0.010205
C -2.618445 -0.923246 0.192114
C 4.025572 -1.902584 0.369033
C 1.847383 -0.810382 0.202053
C -3.616842 1.752123 -0.154495
C 7.398853 1.779527 -0.191789
C 7.236625 -1.044241 0.239665
C -7.740836 -1.104430 0.173670
C -1.711007 0.182800 0.057445
C -6.944336 1.623332 -0.160935
C 2.618566 -1.984303 0.380047
C -2.236316 1.507664 -0.114745
C 8.574628 0.996197 -0.072054
C 8.492556 -0.403306 0.141863
C -8.710012 -0.078231 0.036796
C -8.313302 1.273324 -0.128600
H 4.572879 2.510689 0.594838
H 4.572535 2.242145 -1.159910
H -5.112609 -2.422452 -0.532608
H -5.126400 -2.200860 1.228187
H 1.810604 1.337140 -0.123271
H -2.224286 -1.930608 0.323182
H 4.624002 -2.809278 0.506704
H -3.991092 2.772965 -0.286569
H 7.471897 2.860601 -0.357078
H 7.179604 -2.126009 0.404811
H -8.056390 -2.146322 0.301392
H -6.644132 2.669417 -0.289295
H 2.095530 -2.932736 0.522242
H -1.513504 2.323459 -0.214304
H 9.557334 1.475359 -0.145437
H 9.412871 -0.991022 0.231712
H -9.776251 -0.330091 0.059084
H -9.077472 2.051788 -0.232185


