%chk=000029315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029315

0 1
 O    4.446100      -2.093900     -6.6299997E-02
 O   -3.676400       1.814900      0.9213000    
 O   -5.157600      0.5719000      -1.074800    
 N   0.8196000      -1.273700     -3.5000000E-02
 C    2.066500      -1.895100      0.4287000    
 C    3.234300      -1.459600     -0.4849000    
 C  -0.3425000      -1.745300      0.7389000    
 C    2.280700      -1.491100       1.888700    
 C    3.494400      3.1500001E-02 -0.4704000    
 C   -1.626800      -1.124500      0.2571000    
 C    2.838200      0.8402000      -1.381800    
 C    4.382300      0.5532000      0.4542000    
 C   -2.060900      6.8499997E-02  0.8177000    
 C   -2.358000      -1.754500     -0.7399000    
 C   -3.251100      0.6434000      0.3716000    
 C    3.077600       2.214300      -1.368400    
 C    4.621500       1.927400      0.4675000    
 C   -3.548000      -1.179600      -1.185900    
 C   -3.994500      1.9300001E-02 -0.6302000    
 C    3.969100       2.757900     -0.4437000    
 C   -2.858600       2.387700       1.939900    
 C   -6.355900      0.1870000     -0.4042000    
 H    1.990400      -2.988700      0.3765000    
 H    3.052200      -1.788100      -1.516200    
 H   0.8802000     -0.2605000      6.3000001E-02
 H  -0.2532000      -1.513000       1.805500    
 H  -0.4219000      -2.837600      0.6647000    
 H    3.297800      -1.732800       2.216700    
 H    2.120700     -0.4214000       2.065200    
 H    1.621700      -2.046700       2.564300    
 H    2.146500      0.4276000      -2.110400    
 H    4.898600     -6.4900003E-02   1.182100    
 H    4.295800      -3.054400     -9.0800002E-02
 H   -1.438800      0.5079000       1.589800    
 H   -2.018300      -2.687400      -1.180800    
 H    2.570600       2.860800      -2.078700    
 H    5.313900       2.351500       1.188900    
 H   -4.121400      -1.670600      -1.967600    
 H    4.155200       3.827900     -0.4331000    
 H   -1.872100       2.668500       1.555500    
 H   -2.794900       1.738200       2.819600    
 H   -3.347900       3.312400       2.263200    
 H   -6.523400     -0.8899000     -0.5065000    
 H   -7.193000      0.7167000     -0.8671000    
 H   -6.310700      0.4616000      0.6545000    


%chk=000029315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029315

0 1
O 4.359730 -2.476098 0.017599
O -4.779787 1.057000 1.460447
O -5.033940 0.882126 -1.373731
N 0.918946 -0.966507 0.388238
C 2.159326 -1.636855 0.841960
C 3.191224 -1.650720 -0.341564
C -0.298057 -1.231062 1.185373
C 2.762682 -1.068782 2.149592
C 3.708135 -0.270590 -0.722928
C -1.546887 -0.657994 0.520787
C 2.956068 0.545293 -1.607044
C 4.924824 0.227856 -0.193664
C -2.567004 -0.079876 1.315956
C -1.718695 -0.712040 -0.881634
C -3.750889 0.429099 0.731731
C 3.401807 1.844330 -1.941069
C 5.374473 1.522972 -0.534794
C -2.903154 -0.218851 -1.468756
C -3.931572 0.345311 -0.683854
C 4.612722 2.338935 -1.403841
C -4.584485 1.220374 2.902137
C -6.385886 0.497402 -0.919678
H 1.884587 -2.701523 1.015383
H 2.653810 -2.091502 -1.207394
H 1.063591 0.041286 0.233842
H -0.241560 -0.843841 2.232218
H -0.394379 -2.334170 1.271002
H 3.705106 -1.587237 2.403089
H 2.985821 0.008006 2.039870
H 2.059320 -1.194174 2.993007
H 2.026865 0.157767 -2.042197
H 5.519439 -0.417743 0.459184
H 4.049444 -3.399762 0.195001
H -2.420093 -0.016578 2.399945
H -0.921596 -1.140668 -1.496379
H 2.810993 2.462982 -2.626099
H 6.321408 1.894365 -0.126153
H -3.060831 -0.254956 -2.551511
H 4.963429 3.343202 -1.667605
H -3.682727 1.825470 3.118089
H -4.506393 0.241350 3.414265
H -5.480609 1.752165 3.254825
H -6.504218 -0.603544 -0.948592
H -7.069631 0.964684 -1.645032
H -6.583357 0.870098 0.098379


