%chk=000051034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051034

0 1
 O   -5.265300     -0.5740000      0.8254000    
 O    5.822900       1.756500     -0.8922000    
 N  -0.3133000      0.4174000      0.1110000    
 C   -8.323400      -2.488700     -0.3240000    
 C   -6.924400      -2.200000      0.2439000    
 C   -6.581400     -0.7164000      0.3055000    
 C   -8.460700      -2.053900      -1.783700    
 C   -9.384700      -1.786800      0.5264000    
 C   -4.552100      0.5194000      0.4091000    
 C   -3.166400      0.4462000      0.3244000    
 C    1.878000      0.9095000       1.039400    
 C   -2.440600       1.559500     -9.9100001E-02
 C    1.083200      0.4948000     -2.5800001E-02
 C    3.847300      0.6361000     -0.3332000    
 C   -5.221700       1.691300      7.5599998E-02
 C    3.262600      0.9803000      0.8855000    
 C    3.047600      0.2211000      -1.398000    
 C    1.663000      0.1504000      -1.244000    
 C   -3.105500       2.738800     -0.4355000    
 C   -4.496000       2.804800     -0.3480000    
 C    5.290900      0.7096000     -0.4941000    
 C  -0.9908000       1.491000     -0.1907000    
 C    1.274700       1.283100       2.354000    
 C    6.189900     -0.4458000     -0.1949000    
 C    5.626900      -1.619500      0.2486000    
 C    7.544200     -0.2885000     -0.3749000    
 C    6.466300      -2.697900      0.5283000    
 C    8.383700      -1.366800     -9.5299996E-02
 C    7.844700      -2.571500      0.3563000    
 H   -8.491100      -3.571500     -0.2692000    
 H   -6.167700      -2.721600     -0.3565000    
 H   -6.838600      -2.628200       1.251200    
 H   -6.649700     -0.3021000     -0.7067000    
 H   -7.267200     -0.1827000      0.9708000    
 H   -7.666500      -2.492900      -2.396400    
 H   -9.420000      -2.391800      -2.191200    
 H   -8.422800     -0.9664000      -1.899800    
 H   -9.256200      -2.018700       1.588900    
 H   -9.368600     -0.6993000      0.4031000    
 H   -10.38440      -2.127700      0.2344000    
 H   -2.671100     -0.4837000      0.5918000    
 H   -6.299300       1.794500      0.1574000    
 H    3.891000       1.304700       1.712100    
 H    3.492300     -4.9500000E-02  -2.352100    
 H    1.048300     -0.1749000      -2.079100    
 H   -2.553700       3.615000     -0.7658000    
 H   -5.012700       3.725300     -0.6035000    
 H  -0.4685000       2.404200     -0.5338000    
 H    2.039400       1.438000       3.122900    
 H   0.7046000       2.213000       2.260500    
 H   0.6136000      0.4887000       2.716200    
 H    4.561000      -1.755600      0.3945000    
 H    7.986800      0.6387000     -0.7250000    
 H    6.047100      -3.636100      0.8800000    
 H    9.457200      -1.268700     -0.2291000    
 H    8.498400      -3.411100      0.5739000    


%chk=000051034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051034

0 1
O -5.231116 -0.631666 0.109002
O 5.861546 0.585297 2.366488
N -0.240500 0.535918 0.298960
C -8.761049 -2.064842 0.590602
C -7.225886 -1.839282 0.701205
C -6.683894 -0.692317 -0.157644
C -9.201454 -2.461998 -0.840404
C -9.576195 -0.853554 1.108153
C -4.477786 0.344487 -0.554592
C -3.098672 0.357779 -0.250836
C 1.653545 0.377335 1.838917
C -2.245383 1.305209 -0.866915
C 1.157223 0.490880 0.496211
C 3.958678 0.234696 0.940136
C -5.016310 1.281148 -1.479380
C 3.043112 0.268603 2.028926
C 3.450567 0.337864 -0.383201
C 2.068144 0.471993 -0.599639
C -2.781748 2.244209 -1.794255
C -4.157983 2.223936 -2.090711
C 5.422821 0.161279 1.247813
C -0.802928 1.338692 -0.568998
C 0.689986 0.405978 3.006387
C 6.388785 -0.412537 0.244613
C 6.032579 -1.454674 -0.653900
C 7.730868 0.053974 0.265317
C 6.999671 -2.008699 -1.521575
C 8.690335 -0.486654 -0.613526
C 8.326658 -1.520184 -1.511215
H -8.988004 -2.923620 1.256142
H -6.695221 -2.766619 0.411200
H -6.960211 -1.633429 1.756046
H -6.849488 -0.878269 -1.238076
H -7.145929 0.277923 0.115674
H -8.616813 -3.322466 -1.216279
H -10.270184 -2.744672 -0.856219
H -9.071906 -1.625548 -1.553243
H -9.254887 -0.557669 2.124358
H -9.463699 0.026422 0.446672
H -10.653939 -1.096804 1.150071
H -2.686035 -0.362780 0.460933
H -6.082113 1.283279 -1.724854
H 3.454143 0.208387 3.042772
H 4.136628 0.343487 -1.236076
H 1.674867 0.529131 -1.621136
H -2.121664 2.978513 -2.270725
H -4.575774 2.944370 -2.802330
H -0.215361 2.108183 -1.114375
H 1.191581 0.116272 3.944884
H 0.259718 1.415892 3.146343
H -0.163084 -0.271452 2.821797
H 5.013409 -1.854879 -0.648539
H 7.997400 0.834456 0.985738
H 6.720652 -2.823176 -2.199255
H 9.719504 -0.111382 -0.598142
H 9.073995 -1.946819 -2.189824


