%chk=000068618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068618

0 1
 I    1.192300       2.283900      -1.413900    
 O  -0.2472000     -0.7871000      -1.024400    
 O   -2.615700      -1.037000      -2.451600    
 N   -4.034400      0.5969000      0.5524000    
 N    3.997400     -1.4800000E-02  0.7596000    
 N    5.012300       3.290500      7.5800002E-02
 C   -2.571600     -0.2416000      -1.263600    
 C   -3.967500     -0.2429000     -0.6360000    
 C   -5.385300      0.6229000       1.096600    
 C   -1.493300     -0.8025000     -0.3390000    
 C    1.971400     -0.4439000     -7.0200004E-02
 C   0.8431000      -1.246400     -0.3313000    
 C    3.037500     -0.9950000      0.6439000    
 C   -6.359800       1.187200      6.6799998E-02
 C   -5.400800       1.451400       2.377300    
 C    2.325200      0.8997000     -0.3782000    
 C   0.8231000      -2.567400      0.1307000    
 C    3.031600      -2.313800       1.111900    
 C    3.576000       1.133700      0.1451000    
 C    1.901700      -3.090900      0.8410000    
 C    4.364000       2.317100      0.1071000    
 H   -2.289600      0.7709000      -1.576800    
 H   -4.254400      -1.274800     -0.3954000    
 H   -4.653000      9.5200002E-02  -1.419900    
 H   -5.697300     -0.3948000       1.363300    
 H   -1.760900      -1.830600     -7.0100002E-02
 H   -1.412000     -0.2027000      0.5749000    
 H   -3.731300       1.542800      0.3214000    
 H   -7.322100       1.414000      0.5411000    
 H   -5.993000       2.119500     -0.3780000    
 H   -6.580400      0.4769000     -0.7361000    
 H   -4.704000       1.042800       3.117700    
 H   -6.399400       1.450700       2.827500    
 H   -5.119400       2.493200       2.186500    
 H  -2.3399999E-02  -3.217400     -7.4900001E-02
 H    4.883600     -0.1318000       1.231800    
 H    3.871300      -2.722600       1.663900    
 H   -3.259000     -0.6286000      -3.055700    
 H    1.867600      -4.121200       1.186100    


%chk=000068618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068618

0 1
I 1.678127 2.237592 -1.905207
O -0.273430 -0.231518 -0.601901
O -2.373792 -0.436809 -2.806533
N -4.183367 0.624176 0.335746
N 4.261518 -0.199754 0.552941
N 5.829463 2.575523 -1.040210
C -2.515168 0.088594 -1.437087
C -4.003025 0.040304 -1.005555
C -5.460231 0.323934 1.038501
C -1.642704 -0.781990 -0.543673
C 2.032229 -0.302310 0.042521
C 0.722751 -0.876475 0.118887
C 3.099910 -0.933261 0.779439
C -6.725923 0.853375 0.309029
C -5.374862 0.876558 2.475526
C 2.604817 0.834634 -0.632079
C 0.528638 -2.031927 0.904727
C 2.912560 -2.092598 1.569397
C 3.975096 0.881562 -0.306016
C 1.613635 -2.623568 1.614607
C 4.976891 1.801762 -0.707358
H -2.141758 1.133971 -1.374775
H -4.330240 -1.017576 -0.973680
H -4.604948 0.532692 -1.808664
H -5.531786 -0.782086 1.093084
H -1.648772 -1.822294 -0.923668
H -2.020258 -0.735853 0.495843
H -3.972620 1.632766 0.356015
H -7.644676 0.550625 0.845176
H -6.710873 1.959477 0.257407
H -6.793035 0.460505 -0.722073
H -4.493124 0.464463 2.995744
H -6.281387 0.619830 3.052255
H -5.284512 1.980748 2.466383
H -0.460914 -2.489023 0.980181
H 5.182004 -0.401169 0.938589
H 3.738301 -2.554560 2.118709
H -2.681665 0.241899 -3.457671
H 1.420431 -3.520719 2.212743


