%chk=000055383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055383

0 1
 O  -0.7942000       1.768400      -1.885700    
 N   -2.640100       1.229300      8.3400004E-02
 C    5.183000      1.3200000E-02 -0.1013000    
 C    5.736200      -1.207600     -0.8656000    
 C    5.517600     -0.2367000       1.380100    
 C    6.221300      -2.180600      0.2029000    
 C    6.625800      -1.278400       1.355300    
 C    3.711300      0.2797000     -0.3257000    
 C    2.767400     -0.6876000      1.8900000E-02
 C    3.297800       1.492900     -0.8760000    
 C   0.9962000      0.7711000     -0.7371000    
 C    1.409700     -0.4420000     -0.1869000    
 C    1.940300       1.738700      -1.081700    
 C   -2.273300       2.557700      0.5766000    
 C   -1.459800      0.3791000     -2.7100001E-02
 C  -0.4190000       1.027200     -0.9536000    
 C   -3.635000      0.6168000      0.9649000    
 C   -3.501700       3.461900      0.5617000    
 C   -1.684200       2.456500       1.980800    
 C   -4.085700     -0.7262000      0.4546000    
 C   -5.174400     -0.8012000     -0.4030000    
 C   -3.406200      -1.870200      0.8491000    
 C   -5.592100      -2.045500     -0.8754000    
 C   -3.823900      -3.114500      0.3766000    
 C   -4.916900      -3.201900     -0.4857000    
 H    5.754300      0.8910000     -0.4337000    
 H    6.590200     -0.8901000      -1.477400    
 H    5.014700      -1.677400      -1.542000    
 H    4.665200     -0.6274000       1.947700    
 H    5.839400      0.6827000       1.881100    
 H    5.403000      -2.842600      0.5096000    
 H    7.048600      -2.803300     -0.1494000    
 H    7.591100     -0.8022000       1.146800    
 H    6.707300      -1.821200       2.301300    
 H    3.069300      -1.642900      0.4395000    
 H    4.020700       2.257100      -1.148300    
 H   0.7001000      -1.222300      7.3399998E-02
 H    1.636800       2.691800      -1.507300    
 H   -1.541800       3.051500     -6.9399998E-02
 H   -1.019300      0.1179000      0.9394000    
 H   -1.698000     -0.5519000     -0.5535000    
 H   -3.272500      0.4598000       1.987700    
 H   -4.539400       1.227800       1.056400    
 H   -4.204400       3.260300       1.376400    
 H   -3.188600       4.506200      0.6833000    
 H   -4.037100       3.400500     -0.3926000    
 H  -0.7837000       1.840900       2.045500    
 H   -2.396200       2.134100       2.745800    
 H   -1.366500       3.460100       2.294400    
 H   -5.706200      9.3099996E-02 -0.7154000    
 H   -2.561700      -1.821100       1.530600    
 H   -6.442700      -2.113700      -1.547200    
 H   -3.300000      -4.015400      0.6823000    
 H   -5.242400      -4.170700     -0.8531000    


%chk=000055383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055383

0 1
O -0.774232 2.225240 -1.195401
N -2.699384 1.374365 0.698652
C 5.202359 -0.472238 -0.471778
C 5.376151 -2.006170 -0.752902
C 6.020861 -0.254501 0.836208
C 6.708882 -2.432982 -0.048972
C 7.268916 -1.141251 0.620062
C 3.758188 0.000561 -0.416748
C 2.849240 -0.519654 0.545192
C 3.272425 0.975266 -1.328382
C 1.032732 0.894902 -0.318775
C 1.512870 -0.081511 0.598470
C 1.936219 1.414800 -1.283709
C -2.847595 2.822772 1.035673
C -1.334110 0.853959 0.763859
C -0.385856 1.392514 -0.325798
C -3.705054 0.458599 1.272765
C -4.084652 3.429377 0.340015
C -2.851157 3.110464 2.564412
C -3.909070 -0.807312 0.437000
C -3.782556 -0.769384 -0.974657
C -4.271956 -2.027074 1.060533
C -4.025843 -1.926783 -1.746904
C -4.519742 -3.186090 0.289318
C -4.398340 -3.139110 -1.118844
H 5.718246 0.085254 -1.279647
H 5.389288 -2.206411 -1.838881
H 4.517656 -2.564698 -0.337634
H 5.440335 -0.614029 1.708522
H 6.259265 0.809797 1.011116
H 6.504076 -3.202820 0.717732
H 7.432316 -2.870792 -0.759373
H 7.970997 -0.630044 -0.066844
H 7.817084 -1.348851 1.556303
H 3.192032 -1.277331 1.260089
H 3.955348 1.389611 -2.080260
H 0.846093 -0.509475 1.354671
H 1.558606 2.162484 -1.989409
H -1.964745 3.314507 0.590317
H -0.837243 1.024987 1.755589
H -1.376016 -0.246400 0.637444
H -3.474209 0.157914 2.325972
H -4.665039 1.007422 1.316013
H -5.032853 3.013097 0.730251
H -4.115370 4.522947 0.500551
H -4.033440 3.231242 -0.743750
H -1.969459 2.665979 3.064251
H -3.760765 2.709128 3.049461
H -2.826851 4.200110 2.750071
H -3.480539 0.174736 -1.442357
H -4.362326 -2.069940 2.153964
H -3.924411 -1.884611 -2.837604
H -4.800659 -4.122803 0.784690
H -4.586411 -4.037069 -1.718537


