%chk=000040651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040651

0 1
 O   0.7542000     -0.6194000     -0.3860000    
 O   7.5599998E-02  -3.315700     -0.3660000    
 O    3.949600      -1.488900     -0.8886000    
 O    3.435300      -1.760700       1.338700    
 N   -2.760000     -0.9287000     -0.2858000    
 N   -5.389600      8.6700000E-02  0.3563000    
 C   -3.678600     -0.4736000      -1.336600    
 C   -3.512700      -1.437100      0.8674000    
 C   -4.637800      0.5936000     -0.7983000    
 C   -4.470900     -0.3693000       1.406500    
 C   -1.847100      -1.947700     -0.8000000    
 C  -0.7918000      -2.349000      0.2335000    
 C   5.3100001E-02  -1.174600      0.7224000    
 C   -6.300900       1.107000      0.8708000    
 C    1.555100      0.4610000     -0.1287000    
 C    1.026300       1.746200     -0.2173000    
 C  -0.4034000       1.965400     -0.5889000    
 C    2.890500      0.2726000      0.2189000    
 C    1.838100       2.850200      4.3299999E-02
 C    3.702300       1.376500      0.4797000    
 C  -0.5540000       2.754500      -1.902400    
 C   -1.202000       2.655900      0.5319000    
 C    3.176000       2.665300      0.3920000    
 C    3.437200      -1.077200      0.3094000    
 C    5.138800       1.210000      0.8555000    
 C    4.516400      -2.802900     -0.9278000    
 H   -4.254100      -1.315100      -1.745700    
 H   -3.107700     -3.5100002E-02  -2.164200    
 H   -2.849400      -1.692900       1.699100    
 H   -4.076600      -2.341700      0.6027000    
 H   -4.076400       1.498300     -0.5343000    
 H   -5.333400      0.8664000      -1.601100    
 H   -5.042900     -0.8049000       2.234900    
 H   -3.893900      0.4722000       1.814100    
 H   -2.391000      -2.844100      -1.128600    
 H   -1.337900      -1.573400      -1.698300    
 H   -1.244100      -2.856700       1.089700    
 H   0.7815000      -1.544400       1.452800    
 H  -0.5638000     -0.4156000       1.215000    
 H   -7.013600       1.411400      9.6299998E-02
 H   -5.769400       1.999600       1.220300    
 H   -6.892100      0.7096000       1.703300    
 H  -0.8982000       1.009800     -0.7751000    
 H   0.5484000      -2.878300      -1.094800    
 H    1.451600       3.863600     -1.8999999E-02
 H  -7.1000000E-03   2.264400      -2.715600    
 H   -1.608200       2.813800      -2.195000    
 H  -0.1762000       3.778600      -1.812500    
 H  -0.8301000       3.665000      0.7393000    
 H   -2.257200       2.745700      0.2566000    
 H   -1.145100       2.080300       1.462200    
 H    3.794200       3.536600      0.5917000    
 H    5.230100      0.6182000       1.772400    
 H    5.625600       2.173500       1.042300    
 H    5.691900      0.7173000      4.9199998E-02
 H    4.882700      -2.985700      -1.941300    
 H    5.356900      -2.872000     -0.2310000    
 H    3.753000      -3.549200     -0.6884000    


%chk=000040651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040651

0 1
O 0.725967 -0.294788 -0.502150
O 0.411910 -3.004762 -0.528879
O 3.179486 -1.825257 -0.687588
O 3.944626 -1.435231 1.473200
N -2.869845 -1.137953 -0.174439
N -5.561342 -0.310116 0.505061
C -3.672871 -0.302249 -1.102249
C -3.763909 -2.011272 0.627275
C -4.676066 0.553313 -0.310484
C -4.767603 -1.160320 1.422122
C -1.768648 -1.875516 -0.837613
C -0.602634 -2.178601 0.138718
C 0.042996 -0.897488 0.679673
C -6.611157 0.453689 1.203663
C 1.654153 0.740031 -0.230325
C 1.236921 2.082354 -0.429980
C -0.181501 2.415743 -0.896774
C 2.972884 0.414910 0.199356
C 2.192948 3.098125 -0.190086
C 3.912723 1.457197 0.463274
C -0.164084 3.087180 -2.296054
C -0.932642 3.299600 0.133966
C 3.496844 2.793386 0.249218
C 3.397646 -1.007168 0.426989
C 5.326644 1.169582 0.936564
C 3.599403 -3.247978 -0.530356
H -4.237739 -0.927833 -1.837380
H -2.988327 0.359178 -1.665802
H -3.159028 -2.610991 1.331555
H -4.329717 -2.719478 -0.028279
H -4.103473 1.277149 0.327394
H -5.300315 1.136261 -1.013879
H -5.458173 -1.824446 1.975453
H -4.204254 -0.544826 2.170760
H -2.101661 -2.842364 -1.282844
H -1.370824 -1.252302 -1.659427
H -0.965307 -2.782637 0.990207
H 0.792382 -1.125635 1.461672
H -0.729918 -0.205223 1.062870
H -7.217695 1.011733 0.467577
H -6.207759 1.188514 1.946647
H -7.281609 -0.240983 1.741148
H -0.728999 1.460186 -0.989540
H 1.017479 -2.372091 -1.008250
H 1.910466 4.146593 -0.342337
H 0.333099 2.441012 -3.041418
H -1.195872 3.285488 -2.641899
H 0.374056 4.053458 -2.271629
H -0.440279 4.282294 0.257902
H -1.970357 3.482989 -0.202443
H -0.973287 2.813803 1.125775
H 4.211963 3.603680 0.430214
H 5.322787 0.687759 1.929592
H 5.911719 2.102507 0.996385
H 5.855599 0.478325 0.254347
H 3.635757 -3.640110 -1.556564
H 4.583497 -3.302791 -0.038329
H 2.840140 -3.780328 0.065320


