%chk=000135789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135789

0 1
 O   -1.887900      -1.748100     -9.8899998E-02
 O  -0.6637000      -3.311700      -1.288500    
 O    4.054100     -2.6500000E-02  -1.542300    
 O    3.217200       1.922500     -0.6146000    
 O   -2.304700       3.948200       1.474500    
 O   -1.150600       2.528000       2.687200    
 N    2.003100      -1.638200       1.889000    
 N   -1.541000       2.957500       1.574700    
 C   -4.256600      -1.461600     -0.1339000    
 C   -4.301300      1.6300000E-02 -0.3696000    
 C   -5.252200     -0.8899000      -1.095300    
 C   -3.105200      -2.243900     -0.6655000    
 C    1.084400     -0.6200000     -0.5915000    
 C   0.3913000      -1.760700      0.1602000    
 C  -0.7632000      -2.383200     -0.5081000    
 C    2.412600     -0.2056000      4.9899999E-02
 C   0.8531000      -2.196000       1.354200    
 C   0.1676000      0.5657000     -0.6834000    
 C    2.796900     -0.7004000       1.248300    
 C   0.2184000      -3.271300       2.194500    
 C  -0.2551000       1.200000      0.4787000    
 C  -0.2477000       1.017600      -1.930300    
 C    3.262100      0.7114000     -0.7275000    
 C    4.053400     -0.3229000       1.985400    
 C   -1.105400       2.302200      0.3927000    
 C   -1.098100       2.119800      -2.016300    
 C   -1.527000       2.762100     -0.8548000    
 C    4.945600      0.7290000      -2.368900    
 H   -4.604400      -1.822600      0.8255000    
 H   -4.701200      0.6420000      0.4185000    
 H   -3.517800      0.4769000     -0.9556000    
 H   -5.100300      -1.029900      -2.158400    
 H   -6.292400     -0.8744000     -0.7931000    
 H   -3.228700      -3.299400     -0.3962000    
 H   -3.043700      -2.166900      -1.757900    
 H    1.319400     -0.9997000      -1.596400    
 H    2.320400      -1.987100       2.786500    
 H   0.9191000      -4.100500       2.339400    
 H  -0.6908000      -3.682300       1.746900    
 H  -5.1500000E-02  -2.871500       3.177900    
 H   7.8900002E-02  0.8339000       1.445800    
 H   7.8199998E-02  0.5269000      -2.843200    
 H    4.646700      0.4304000       1.459600    
 H    3.804800      8.4799998E-02   2.971200    
 H    4.688000      -1.204400       2.126300    
 H   -1.426800       2.477000      -2.987800    
 H   -2.189900       3.617100     -0.9604000    
 H    5.635400       1.310100      -1.749300    
 H    5.524300      2.7000001E-02  -2.975000    
 H    4.378600       1.385200      -3.036300    


%chk=000135789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135789

0 1
O -2.095158 -2.208775 -0.218448
O -1.063211 -1.263006 -2.080466
O 3.416825 0.223316 -1.963258
O 4.890292 -0.037961 -0.183926
O 0.000025 5.598794 1.195452
O 0.925020 3.931538 2.443444
N 1.269025 -0.993756 2.103881
N 0.416681 4.384630 1.343699
C -4.227287 -3.356563 -0.300893
C -5.267143 -2.557271 0.498343
C -5.696911 -3.328522 -0.757977
C -3.200427 -2.635195 -1.135494
C 1.125449 -0.228638 -0.615063
C 0.028267 -1.069240 0.064236
C -1.051180 -1.497759 -0.836381
C 2.459525 -0.340667 0.130975
C 0.092707 -1.336095 1.420940
C 0.660643 1.237369 -0.747695
C 2.478117 -0.639586 1.481762
C -0.952873 -2.007864 2.285433
C 0.770480 2.136558 0.336507
C 0.081906 1.698052 -1.959535
C 3.701998 -0.054349 -0.612327
C 3.672148 -0.672287 2.408251
C 0.302031 3.458862 0.190738
C -0.375413 3.029778 -2.088387
C -0.271392 3.931363 -1.010094
C 4.593687 0.525174 -2.806024
H -3.872712 -4.289683 0.150133
H -5.574220 -2.943589 1.474141
H -5.222819 -1.465371 0.439525
H -5.945491 -2.750406 -1.653655
H -6.289462 -4.238868 -0.634620
H -2.765215 -3.281060 -1.919867
H -3.617379 -1.735037 -1.624547
H 1.252664 -0.613125 -1.639743
H 1.295664 -1.162224 3.110709
H -1.052893 -3.075412 2.024101
H -1.945978 -1.561608 2.128210
H -0.687001 -1.931101 3.356130
H 1.217985 1.836105 1.287309
H -0.017649 0.995074 -2.792418
H 4.551384 -0.227099 1.925380
H 3.447234 -0.123504 3.343481
H 3.925167 -1.715378 2.680278
H -0.814533 3.365201 -3.033696
H -0.614575 4.966838 -1.076862
H 5.299384 -0.322787 -2.800218
H 4.181667 0.693344 -3.811127
H 5.111345 1.424696 -2.432438


