%chk=000041603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041603

0 1
 O    2.600000     -0.6003000      0.2348000    
 O   -4.950700       1.001100      0.5119000    
 O    1.462200       1.215700     -0.5637000    
 N    6.228400     -0.4666000     -0.4003000    
 N   0.3760000     -0.5423000      0.5361000    
 C    7.305600      -1.442700     -0.1841000    
 C    6.537500      0.8172000      0.2447000    
 C    8.635600     -0.9285000     -0.7373000    
 C    7.842300       1.405400     -0.2943000    
 C    8.999200      0.4250000     -0.1374000    
 C    4.955100     -0.9925000      9.1200002E-02
 C    3.816500     -4.2800002E-02 -0.2449000    
 C   -8.262500     -0.5932000     -0.2933000    
 C   -7.175700      0.4769000     -0.2170000    
 C   -9.494900     -8.1900001E-02  -1.038700    
 C    1.460400      0.1352000      1.3200000E-02
 C   -5.928400     -3.7900001E-02  0.4872000    
 C   -10.56610      -1.155600      -1.146400    
 C  -0.9816000     -0.1492000      0.5294000    
 C   -3.643600      0.6218000      0.5167000    
 C   -1.930500     -0.9749000       1.111000    
 C   -1.337400       1.054400     -5.8499999E-02
 C   -3.270400     -0.5868000       1.104600    
 C   -2.677200       1.442400     -6.4800002E-02
 H    7.064600      -2.382000     -0.6963000    
 H    7.415800      -1.672600      0.8839000    
 H    6.603800      0.7050000       1.334900    
 H    5.779500       1.576000      3.4600001E-02
 H    9.430100      -1.652500     -0.5242000    
 H    8.569300     -0.8385000      -1.829100    
 H    7.721200       1.660200      -1.355000    
 H    8.075300       2.337300      0.2335000    
 H    9.233500      0.3025000      0.9272000    
 H    9.897800      0.8224000     -0.6218000    
 H    4.739900      -1.962300     -0.3763000    
 H    4.980500      -1.177800       1.173500    
 H    3.926600      0.9270000      0.2467000    
 H    3.748000      0.1040000      -1.329700    
 H   -7.868900      -1.480300     -0.8044000    
 H   -8.546100     -0.9035000      0.7197000    
 H   -6.906900      0.8174000      -1.225000    
 H   -7.551600       1.363700      0.3085000    
 H   -9.908800      0.7901000     -0.5192000    
 H   -9.212600      0.2444000      -2.046400    
 H   -5.568200     -0.9159000     -6.4599998E-02
 H   -6.168900     -0.3266000       1.516900    
 H   -10.19330      -2.028500      -1.691700    
 H   -10.89360      -1.483700     -0.1547000    
 H   -11.43860     -0.7681000      -1.681500    
 H   0.5767000      -1.434400      0.9815000    
 H   -1.649100      -1.915200       1.576900    
 H  -0.6477000       1.741000     -0.5274000    
 H   -3.986500      -1.241200       1.592600    
 H   -2.963500       2.384900     -0.5239000    


%chk=000041603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041603

0 1
O 2.849947 -1.594000 -1.313217
O -4.618071 0.628098 -0.204799
O 1.998837 0.579432 -0.943761
N 6.169458 -0.351571 0.015514
N 0.624640 -1.353588 -1.034471
C 7.119808 -0.893593 1.019391
C 6.114224 1.134039 0.064035
C 8.541588 -0.344660 0.779356
C 7.502115 1.746550 -0.209313
C 8.543855 1.201602 0.794746
C 4.827217 -0.974237 0.067883
C 4.225431 -1.030673 -1.349442
C -8.302431 -0.306456 0.131154
C -7.018435 0.553630 0.085729
C -9.571239 0.527642 0.420993
C 1.818190 -0.658297 -1.076137
C -5.771432 -0.289404 -0.188090
C -10.854173 -0.329622 0.469098
C -0.685348 -0.832946 -0.828127
C -3.345801 0.071655 -0.419343
C -1.766227 -1.748081 -0.825128
C -0.945739 0.550469 -0.625518
C -3.091353 -1.307230 -0.623341
C -2.265863 0.988529 -0.423864
H 7.121138 -1.996720 0.939101
H 6.801934 -0.633648 2.064509
H 5.749326 1.481743 1.066931
H 5.383288 1.490431 -0.683656
H 9.225919 -0.744928 1.552319
H 8.897714 -0.704407 -0.205527
H 7.809623 1.488471 -1.241181
H 7.436184 2.849687 -0.143684
H 8.290971 1.559101 1.814862
H 9.552694 1.589500 0.557854
H 4.920277 -2.004956 0.456457
H 4.127455 -0.426025 0.742311
H 4.188318 -0.026452 -1.805143
H 4.794595 -1.719154 -1.991685
H -8.430923 -0.838522 -0.834864
H -8.199032 -1.091804 0.909305
H -7.108246 1.327332 -0.700752
H -6.885226 1.086319 1.046870
H -9.443558 1.060365 1.385099
H -9.676427 1.311861 -0.355925
H -5.849554 -0.807684 -1.167654
H -5.628568 -1.053773 0.605465
H -11.019290 -0.851791 -0.492328
H -10.788001 -1.098885 1.261575
H -11.746347 0.289963 0.674021
H 0.712735 -2.362387 -1.173894
H -1.577487 -2.817908 -0.981552
H -0.116873 1.261130 -0.628563
H -3.901878 -2.041150 -0.627997
H -2.481855 2.049707 -0.266323


