%chk=000067318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067318

0 1
 O    4.163200     -0.1311000      -2.354300    
 O    6.101600       1.400200      -1.079700    
 O  -0.9358000      -2.307200      0.9622000    
 O   -4.946300       2.307100      0.6177000    
 O   -6.749100      0.3683000     -0.2297000    
 N   0.4035000     -0.4186000       1.130600    
 C    2.400600      -1.609600       1.968200    
 C    1.133700     -0.8280000       2.307300    
 C    3.385800     -0.8088000       1.152700    
 C   -1.196900     -0.5398000     -0.6723000    
 C   -2.663500     -0.2966000     -0.5536000    
 C  -0.5823000      -1.204900      0.5514000    
 C    3.323600     -0.8367000     -0.2404000    
 C    4.358500     -4.0399998E-02   1.792200    
 C    4.234000     -9.5899999E-02 -0.9943000    
 C    5.206900      0.6723000     -0.3548000    
 C   -3.130600      0.9035000     -1.7700000E-02
 C    5.269200      0.7000000       1.038400    
 C   -3.568100      -1.269400     -0.9790000    
 C   -4.502300       1.130900      9.2900001E-02
 C   -5.407100      0.1581000     -0.3323000    
 C   -4.939900      -1.042100     -0.8681000    
 C    3.139600     -0.9411000      -2.929200    
 C    7.063700       2.158300     -0.3491000    
 C   -3.956400       3.248100       1.028200    
 C   -7.605600     -0.6764000     -0.6872000    
 H    2.142800      -2.528200       1.425200    
 H    2.882600      -1.939500       2.897200    
 H   0.4806000      -1.442200       2.937000    
 H    1.378000      8.2999997E-02   2.864800    
 H  -0.9894000      -1.194200      -1.529300    
 H  -0.6847000      0.4014000     -0.9080000    
 H   0.6337000      0.4836000      0.7251000    
 H    2.549000      -1.454000     -0.6828000    
 H    4.414700     -9.8999999E-03   2.877200    
 H   -2.380100       1.620600      0.2982000    
 H    5.996400       1.273700       1.602500    
 H   -3.216100      -2.209100      -1.396700    
 H   -5.583200      -1.842100      -1.217900    
 H    3.279400      -2.000300      -2.687700    
 H    2.140400     -0.5800000      -2.661700    
 H    3.229200     -0.8492000      -4.016700    
 H    7.692600       2.673400      -1.082800    
 H    7.724900       1.512400      0.2385000    
 H    6.587700       2.933500      0.2612000    
 H   -3.342300       2.857300       1.846800    
 H   -3.353300       3.595100      0.1822000    
 H   -4.486500       4.122900       1.419400    
 H   -8.635900     -0.3399000     -0.5309000    
 H   -7.477200      -1.590700     -9.7900003E-02
 H   -7.488600     -0.8528000      -1.761900    


%chk=000067318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067318

0 1
O 2.511666 1.100095 -2.012422
O 2.873070 2.864128 -0.060930
O 0.522233 -3.994041 -1.039717
O -1.807931 2.532046 -0.463771
O -4.064450 2.123633 0.857267
N -0.061137 -2.572552 0.704454
C 2.424276 -2.745096 1.224416
C 0.956321 -3.083541 1.637314
C 2.627965 -1.269394 0.930662
C -1.296783 -2.390849 -1.446048
C -2.051519 -1.220900 -0.836827
C -0.197772 -3.051793 -0.577271
C 2.533313 -0.806327 -0.408725
C 2.839226 -0.324041 1.956753
C 2.621460 0.566482 -0.717749
C 2.816752 1.517901 0.333765
C -1.543364 0.104519 -0.948315
C 2.934096 1.057890 1.663041
C -3.262103 -1.421950 -0.139241
C -2.225960 1.203862 -0.383477
C -3.452281 0.981483 0.328450
C -3.955584 -0.331915 0.441437
C 2.446623 0.144677 -3.121963
C 3.100799 3.855212 0.992969
C -0.586774 2.814744 -1.232072
C -5.330839 1.932621 1.566715
H 2.669113 -3.352660 0.336009
H 3.080948 -3.078817 2.051113
H 0.860670 -4.183480 1.702635
H 0.734942 -2.654153 2.630860
H -1.993099 -3.206911 -1.715503
H -0.797675 -2.096925 -2.388465
H -0.629091 -1.766388 0.974822
H 2.383283 -1.543484 -1.204406
H 2.931293 -0.659496 2.996704
H -0.603620 0.271676 -1.485139
H 3.098817 1.769716 2.477390
H -3.675871 -2.432908 -0.049414
H -4.893653 -0.516802 0.972906
H 3.335119 -0.515251 -3.135614
H 1.531135 -0.478766 -3.074746
H 2.426209 0.764473 -4.030319
H 3.120532 4.824040 0.472763
H 4.069506 3.685416 1.502501
H 2.282646 3.847924 1.739812
H 0.303752 2.341732 -0.783065
H -0.690953 2.483714 -2.283506
H -0.478782 3.908299 -1.196774
H -5.632403 2.941428 1.884158
H -5.203735 1.283422 2.455588
H -6.105685 1.502304 0.902076


