%chk=000036378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036378

0 1
 O  -0.1513000       2.143500     -5.0799999E-02
 N    1.902700     -0.2313000      -1.206800    
 N    1.036800     -0.1495000       1.059800    
 C    2.567600      -2.427500     -0.3653000    
 C    2.366200      -2.247800       1.143300    
 C    3.005200      -1.165000      -1.097900    
 C  -0.1997000      0.8831000     -0.6838000    
 C    1.010700      0.1034000     -0.2043000    
 C    2.207200     -0.8111000       1.625100    
 C   -1.464700      0.1536000     -0.3466000    
 C   -1.998200     -0.7579000      -1.252100    
 C   -2.096400      0.3935000      0.8695000    
 C    1.046600       2.849400     -0.3624000    
 C   -3.175700      -1.436700     -0.9382000    
 C   -3.273800     -0.2853000       1.183400    
 C   -3.813500      -1.200500      0.2796000    
 C    1.030200       4.186200      0.3476000    
 H    3.313100      -3.216100     -0.5246000    
 H    1.633700      -2.800400     -0.8063000    
 H    1.499700      -2.843500       1.456500    
 H    3.232500      -2.679700       1.660300    
 H    3.867700     -0.6922000     -0.6171000    
 H    3.322100      -1.436600      -2.111300    
 H  -0.1636000       1.044800      -1.768800    
 H    2.080000     -0.8287000       2.714100    
 H    3.112300     -0.2176000       1.450400    
 H    1.736500      0.1265000      -2.144200    
 H   -1.508700     -0.9520000      -2.202600    
 H   -1.693700       1.094800       1.594900    
 H    1.939500       2.314500     -2.4800001E-02
 H    1.111700       3.008700      -1.444700    
 H   -3.595400      -2.149900      -1.641500    
 H   -3.769600     -0.1031000       2.132400    
 H   -4.729800      -1.729600      0.5243000    
 H    1.933900       4.760100      0.1238000    
 H   0.1561000       4.772400      4.5200001E-02
 H   0.9597000       4.046100       1.431400    


%chk=000036378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036378

0 1
O -0.162511 2.250531 0.001536
N 1.776822 -0.621616 -1.277492
N 1.616949 0.242286 0.998829
C 2.026786 -2.632803 0.218666
C 2.655642 -2.026490 1.504519
C 2.466649 -1.926360 -1.083762
C 0.007516 0.996978 -0.720247
C 1.233694 0.167505 -0.250192
C 2.840538 -0.491928 1.409957
C -1.273100 0.191413 -0.530094
C -2.021199 -0.266693 -1.639606
C -1.714407 -0.109542 0.783368
C 0.970872 3.183038 -0.146347
C -3.198476 -1.026798 -1.445121
C -2.892814 -0.861034 0.977389
C -3.636359 -1.325639 -0.135095
C 0.587824 4.466173 0.589933
H 2.294838 -3.704518 0.147882
H 0.923264 -2.584683 0.276971
H 2.009551 -2.272005 2.368385
H 3.646251 -2.483155 1.701525
H 3.568107 -1.802373 -1.104834
H 2.199646 -2.565209 -1.947269
H 0.147692 1.211117 -1.809888
H 3.145461 -0.106131 2.399545
H 3.674077 -0.273756 0.704658
H 1.414243 -0.445541 -2.216933
H -1.695587 -0.016868 -2.657894
H -1.122160 0.252890 1.629653
H 1.881696 2.727734 0.289145
H 1.149674 3.380229 -1.228675
H -3.774344 -1.375318 -2.310082
H -3.234404 -1.086495 1.994236
H -4.550818 -1.910055 0.018766
H 1.404698 5.208238 0.521960
H -0.327815 4.906984 0.158984
H 0.399106 4.248493 1.655124


