%chk=000158624.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158624

0 1
 O    3.034600      -1.486900      0.4081000    
 O    2.637400      -2.075600      -1.789400    
 N    2.433600       1.508800       1.076700    
 N    1.552100      0.7594000      -1.020300    
 C    3.561500     -0.2451000     -1.4800000E-02
 C    4.458700      0.3883000       1.062600    
 C    3.503300       1.164000       1.984800    
 C    2.410400      0.7281000     -5.2200001E-02
 C    1.394700       2.456100       1.397200    
 C   0.4117000       2.561600      0.2502000    
 C   0.5250000       1.724500     -0.8858000    
 C  -0.2519000      -2.586600      0.2460000    
 C   -1.739900      -2.754500     -6.5899998E-02
 C   0.5721000      -3.733600     -0.3391000    
 C   -2.560400      -1.588600      0.4908000    
 C    2.050300      -3.583900     -1.9999999E-04
 C    2.605700      -2.312600     -0.5888000    
 C   -4.044200      -1.743200      0.1494000    
 C  -0.6320000       3.494100      0.3254000    
 C   -4.909500     -0.5861000      0.6567000    
 C  -0.4114000       1.848000      -1.919000    
 C   -1.554700       3.603300     -0.7139000    
 C   -6.388300     -0.7281000      0.2941000    
 C   -1.444500       2.782200      -1.833800    
 C   -7.214100      0.4064000      0.8813000    
 H    4.086800     -0.3068000     -0.9735000    
 H    5.042600     -0.3491000       1.621600    
 H    5.149600       1.097400      0.5898000    
 H    3.987800       2.044300       2.417100    
 H    3.127200      0.5219000       2.788200    
 H   0.8616000       2.128500       2.296900    
 H    1.840600       3.438800       1.586700    
 H   8.5500002E-02  -1.628000     -0.1624000    
 H  -0.1079000      -2.544000       1.332500    
 H   -2.102200      -3.697300      0.3615000    
 H   -1.881100      -2.815700      -1.152000    
 H   0.4388000      -3.763700      -1.427500    
 H   0.2107000      -4.689900      5.7000000E-02
 H   -2.187600     -0.6442000      7.5999998E-02
 H   -2.437300      -1.535100       1.579000    
 H    2.628800      -4.422000     -0.4035000    
 H    2.194600      -3.592100       1.086400    
 H   -4.157800      -1.820600     -0.9392000    
 H   -4.417500      -2.683300      0.5741000    
 H  -0.7301000       4.138600       1.195300    
 H   -4.526500      0.3566000      0.2462000    
 H   -4.807800     -0.5199000       1.747200    
 H  -0.3415000       1.213200      -2.799200    
 H   -6.503700     -0.7369000     -0.7957000    
 H   -6.772300      -1.683600      0.6696000    
 H   -2.361100       4.328200     -0.6495000    
 H   -2.165200       2.867900      -2.642000    
 H   -6.872200       1.375800      0.5048000    
 H   -8.267500      0.2882000      0.6087000    
 H   -7.145200      0.4177000       1.973700    


%chk=000158624-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158624

0 1
O 2.901753 -1.429781 0.400984
O 2.919414 -2.765849 -1.522319
N 2.847378 1.765405 0.744797
N 1.063795 0.875189 -0.633525
C 3.306674 -0.237041 -0.412893
C 4.634330 0.336840 0.126693
C 4.212434 1.408966 1.170912
C 2.282149 0.849933 -0.130536
C 2.065190 2.825540 1.397153
C 0.686868 2.944124 0.740520
C 0.249303 1.971170 -0.211862
C -0.343305 -2.712026 0.466760
C -1.806168 -2.968133 0.041140
C 0.572013 -3.930919 0.214726
C -2.734777 -1.766827 0.329007
C 2.060227 -3.680267 0.601249
C 2.671382 -2.629425 -0.304077
C -4.178442 -1.972954 -0.181194
C -0.171408 4.004630 1.098054
C -5.111353 -0.778304 0.120312
C -1.047113 2.091841 -0.775700
C -1.462527 4.116729 0.532125
C -6.546605 -0.972142 -0.420162
C -1.898968 3.152913 -0.407884
C -7.476158 0.221273 -0.110635
H 3.331057 -0.540098 -1.471531
H 5.264145 -0.454037 0.562445
H 5.191105 0.808945 -0.701325
H 4.872720 2.296577 1.154838
H 4.206392 1.003006 2.204130
H 1.960535 2.601829 2.484743
H 2.613921 3.788663 1.325657
H 0.040288 -1.826528 -0.078375
H -0.312875 -2.447832 1.544695
H -2.197104 -3.868885 0.560683
H -1.832629 -3.198363 -1.044685
H 0.528969 -4.220963 -0.853348
H 0.207280 -4.798491 0.799743
H -2.305717 -0.855656 -0.137064
H -2.754946 -1.571909 1.421856
H 2.633582 -4.616645 0.471951
H 2.134478 -3.354881 1.652425
H -4.155605 -2.151662 -1.276950
H -4.603511 -2.892763 0.273620
H 0.167598 4.752298 1.827401
H -4.676065 0.145871 -0.315701
H -5.152635 -0.611406 1.217221
H -1.352919 1.337411 -1.507884
H -6.502648 -1.134303 -1.516679
H -6.975737 -1.899025 0.012964
H -2.118205 4.945118 0.821229
H -2.897429 3.231352 -0.852208
H -7.084747 1.154197 -0.559005
H -8.495268 0.057231 -0.507183
H -7.559815 0.384967 0.980591


