%chk=000016129.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016129

0 1
 O   0.4354000      4.0800001E-02   1.365200    
 O    5.241300      -3.667100     -0.5298000    
 O    5.898300       2.706800     -0.5818000    
 O  -0.2249000      -1.726900      4.6599999E-02
 N    3.891600     -0.3015000      0.1309000    
 C    2.504800      0.1611000      0.1715000    
 C   -1.872800     -9.1700003E-02  0.8124000    
 C    3.965500      -1.645800     -0.4403000    
 C    4.717800      0.6273000     -0.6394000    
 C    1.770200     -0.4481000       1.355000    
 C   -2.969700     -0.9583000      0.2068000    
 C   -1.965900       1.354700      0.3449000    
 C  -0.4819000     -0.7003000      0.6626000    
 C    5.219500      -2.362500      3.4400001E-02
 C    5.083600       1.841900      0.1986000    
 C   -3.336700     -0.7870000      -1.128000    
 C   -2.880400       2.223000      0.9412000    
 C   -3.606700      -1.923500      0.9869000    
 C   -1.136300       1.811500     -0.6794000    
 C   -4.340800      -1.580600      -1.682700    
 C   -2.965600       3.547800      0.5133000    
 C   -4.610700      -2.717100      0.4321000    
 C   -1.221600       3.136500      -1.107300    
 C   -4.977700      -2.545600     -0.9028000    
 C   -2.136300       4.004500     -0.5108000    
 H    1.981900     -5.4800000E-02 -0.7702000    
 H    2.435500       1.249500      0.2851000    
 H   -2.044100     -7.8000002E-02   1.900400    
 H    3.922000      -1.627400      -1.538100    
 H    3.114400      -2.269400     -0.1411000    
 H    4.227500      0.9348000      -1.573300    
 H    5.661700      0.1661000     -0.9554000    
 H    2.236900     -0.1213000       2.291700    
 H    1.783800      -1.542900       1.370600    
 H    6.135400      -1.851100     -0.2746000    
 H    5.223600      -2.460500       1.125500    
 H    5.651300       1.545600       1.087500    
 H    4.208500       2.413900      0.5181000    
 H   -2.850600     -6.2700003E-02  -1.773000    
 H   -3.532800       1.879300       1.739500    
 H   -3.329100      -2.069600       2.027300    
 H  -0.4261000       1.155400      -1.174200    
 H   -4.623400      -1.450800      -2.723300    
 H   -3.678000       4.223600      0.9771000    
 H   -5.106100      -3.469300       1.039000    
 H  -0.5785000       3.491500      -1.907300    
 H   -5.758400      -3.164600      -1.335100    
 H   -2.203200       5.035800     -0.8448000    
 H    6.044400      -4.106600     -0.2021000    
 H    6.129100       3.466100     -1.9900000E-02


%chk=000016129-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016129

0 1
O 0.418783 -0.112184 1.172168
O 5.227133 -2.626282 -2.382665
O 6.619103 1.507040 2.332088
O -0.117091 -0.700039 -1.018907
N 4.066485 -0.135884 0.150589
C 2.725106 0.430711 0.397261
C -1.811260 0.402263 0.441328
C 4.224854 -0.815836 -1.156504
C 5.199243 0.727311 0.552804
C 1.796243 -0.658784 0.967080
C -2.859471 -0.729386 0.465898
C -2.214898 1.575434 -0.467650
C -0.444730 -0.188032 0.076711
C 5.052960 -2.101431 -1.018016
C 5.510562 0.579788 2.049077
C -3.366804 -1.294516 -0.730381
C -2.993467 2.617513 0.099052
C -3.315529 -1.227194 1.711468
C -1.879920 1.643832 -1.843834
C -4.317468 -2.337078 -0.678082
C -3.432797 3.703528 -0.688660
C -4.269419 -2.269039 1.764641
C -2.316060 2.733948 -2.631282
C -4.773834 -2.827179 0.568253
C -3.094675 3.765836 -2.060551
H 2.268309 0.855459 -0.524985
H 2.804633 1.254074 1.129918
H -1.712628 0.785316 1.471335
H 4.710545 -0.161683 -1.915360
H 3.228481 -1.080909 -1.553582
H 5.016607 1.802798 0.329338
H 6.099276 0.432178 -0.015772
H 2.123448 -0.977785 1.968155
H 1.738697 -1.524024 0.283959
H 6.036319 -1.874527 -0.551941
H 4.512982 -2.820683 -0.367550
H 5.791306 -0.472536 2.263014
H 4.614354 0.835138 2.655442
H -3.020563 -0.918363 -1.698280
H -3.262349 2.573456 1.161842
H -2.921884 -0.800015 2.642190
H -1.270286 0.852638 -2.292519
H -4.703905 -2.766728 -1.609198
H -4.033546 4.499133 -0.233581
H -4.616682 -2.642070 2.734800
H -2.045744 2.775352 -3.692599
H -5.513958 -3.634405 0.605791
H -3.431618 4.608842 -2.674195
H 5.718600 -3.484310 -2.348207
H 6.862260 1.451814 3.289597


