%chk=000159867.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159867

0 1
 O   -1.517700      -1.722900      0.6496000    
 O   -3.748600      0.1773000      -1.557500    
 O   -5.665400      -1.351600     -0.2451000    
 O   -5.492700     -0.2008000       2.298200    
 O    4.716900      -1.732600       1.074300    
 O    1.587400      -4.644600     -0.5724000    
 N   0.4258000     -0.1466000     -0.6624000    
 N    1.025900      -2.437200     -0.6129000    
 N    3.130600      -3.187300      0.2398000    
 C   -1.930900     -0.6228000     -0.1620000    
 C  -0.8843000     -0.4074000      -1.261600    
 C   -3.336400     -0.9079000     -0.7278000    
 C   0.7648000       1.204600     -0.3882000    
 C   -4.396500      -1.119300      0.3698000    
 C    1.324100      -1.185400     -0.3653000    
 C    2.020400       1.496300      0.1903000    
 C    2.652800     -0.8662000      0.2476000    
 C  -9.0800002E-02   2.288600     -0.6631000    
 C    2.957600      0.4120000      0.5007000    
 C   0.2837000       3.604600     -0.3761000    
 C    2.390400       2.820100      0.4760000    
 C    1.522700       3.870300      0.1928000    
 C   -4.521600      8.8600002E-02   1.297400    
 C    3.618100      -1.936100      0.5713000    
 C  -0.6682000       4.712600     -0.6911000    
 C    1.943000       5.267900      0.5088000    
 C    1.889100      -3.474100     -0.3311000    
 H   -1.955200      0.2731000      0.4661000    
 H  -0.8200000      -1.327300      -1.858500    
 H   -1.181300      0.3496000      -1.993800    
 H   -3.307600      -1.804400      -1.359600    
 H   -4.159400      -2.016600      0.9529000    
 H   -1.078200       2.137200      -1.087900    
 H    3.909200      0.6897000      0.9442000    
 H    3.361600       3.026200      0.9219000    
 H   -3.590100      0.3316000       1.812700    
 H   -4.873000      0.9730000      0.7573000    
 H  -0.7440000      -1.433100       1.161500    
 H   -4.635500     -3.4400001E-02  -1.895800    
 H  -0.2242000       5.409700      -1.409200    
 H   -1.596800       4.339700      -1.137100    
 H  -0.9438000       5.254200      0.2196000    
 H   -6.315700      -1.475600      0.4672000    
 H    2.944200       5.300700      0.9526000    
 H    1.973900       5.876600     -0.4008000    
 H    1.256300       5.724000       1.229200    
 H    3.736800      -3.980000      0.4319000    
 H   -5.174600     -0.9699000       2.801300    


%chk=000159867-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159867

0 1
O -1.889291 -2.270745 0.209115
O -3.366106 0.931755 -0.858079
O -5.653195 -0.337361 -0.409821
O -5.683003 -0.941782 2.256353
O 4.822076 -1.706653 0.986595
O 1.263147 -4.649740 0.329121
N 0.484715 -0.101416 -0.518045
N 0.824993 -2.379713 -0.061018
N 3.019280 -3.148568 0.610107
C -1.915574 -0.856777 -0.129266
C -0.805970 -0.493712 -1.148600
C -3.291605 -0.533319 -0.732069
C 0.826605 1.258268 -0.368352
C -4.468115 -1.041574 0.127498
C 1.328853 -1.128491 -0.084959
C 2.163147 1.600638 0.046078
C 2.680186 -0.777270 0.302406
C -0.113567 2.298033 -0.605132
C 3.084084 0.548721 0.348967
C 0.256713 3.650948 -0.478903
C 2.517706 2.978432 0.155797
C 1.604402 4.007012 -0.106552
C -4.353348 -0.728751 1.630563
C 3.611220 -1.878843 0.662393
C -0.777322 4.731576 -0.720854
C 2.014854 5.460839 0.017591
C 1.655750 -3.454545 0.286356
H -1.778998 -0.218760 0.773228
H -0.610422 -1.380373 -1.777222
H -1.134961 0.333851 -1.792325
H -3.382489 -1.000168 -1.736190
H -4.572943 -2.134163 -0.015566
H -1.155734 2.064369 -0.845327
H 4.114853 0.769037 0.649759
H 3.541169 3.224366 0.462913
H -3.575905 -1.355860 2.102519
H -4.138464 0.339650 1.796297
H -0.911148 -2.564839 0.143954
H -4.343262 1.125050 -0.935366
H -0.471370 5.403223 -1.545919
H -1.757909 4.299883 -0.977342
H -0.907340 5.370841 0.173203
H -6.335277 -0.358956 0.317075
H 3.073996 5.553960 0.309482
H 1.878221 6.004328 -0.936704
H 1.407548 5.992269 0.774849
H 3.608761 -3.952970 0.848735
H -5.806164 -1.907596 2.438355


