%chk=000072076.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072076

0 1
 O   -1.707500       1.269500      6.1000001E-02
 O    1.677000       1.167600      0.1377000    
 O   -2.714800      0.1807000       1.801700    
 O    2.767100      0.3187000      -1.684700    
 N   -3.327100     -0.2175000     -0.4225000    
 N    3.178000     -0.4781000      0.4778000    
 C   3.3500001E-02   2.900800      0.1824000    
 C   0.8288000       3.832000       1.107800    
 C  -0.7668000       3.906600     -0.6565000    
 C    1.214900       5.023900      0.2350000    
 C   0.1894000       5.072400     -0.8975000    
 C  -0.8865000       1.970200      0.9752000    
 C   0.9691000       2.057800     -0.6994000    
 C   -2.609100      0.3767000      0.5971000    
 C    2.574600      0.3196000     -0.4749000    
 C   -4.348700      -1.188700     -0.3163000    
 C    4.155500      -1.480100      0.2818000    
 C   -4.967400      -1.678600      -1.466500    
 C    4.654700      -2.190600       1.373500    
 C   -4.737900      -1.657500      0.9385000    
 C    4.620700      -1.759100      -1.003500    
 C   -5.975300      -2.637200      -1.362000    
 C    5.619000      -3.179700       1.180200    
 C   -5.745700      -2.616300       1.042900    
 C    5.584900      -2.748400      -1.196700    
 C   -6.364300      -3.106000     -0.1075000    
 C    6.084000      -3.458700     -0.1047000    
 H   0.1953000       4.188100       1.930600    
 H    1.706900       3.359100       1.559100    
 H   -1.135600       3.486700      -1.598300    
 H   -1.637300       4.270900     -9.6100003E-02
 H    2.221400       4.889100     -0.1773000    
 H    1.223000       5.952900      0.8143000    
 H   0.6947000       4.961600      -1.863800    
 H  -0.3468000       6.026700     -0.9186000    
 H  -0.3162000       1.265200       1.591600    
 H   -1.527000       2.556700       1.646400    
 H   0.3931000       1.487300      -1.438500    
 H    1.681800       2.688700      -1.243300    
 H   -3.094600      7.7900000E-02  -1.367500    
 H    2.885100     -0.3286000       1.440200    
 H   -4.673600      -1.321800      -2.450300    
 H    4.300700      -1.983400       2.380200    
 H   -4.305000      -1.325500       1.871800    
 H    4.281200      -1.251400      -1.895600    
 H   -6.457000      -3.018600      -2.257600    
 H    6.007600      -3.732900       2.030300    
 H   -6.049800      -2.982400       2.019300    
 H    5.947900      -2.966700      -2.196900    
 H   -7.149100      -3.852400     -2.6100000E-02
 H    6.834800      -4.228900     -0.2553000    


%chk=000072076-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072076

0 1
O -1.870246 1.315578 0.054724
O 1.643843 1.073683 0.133632
O -2.801481 0.170382 1.891633
O 2.910106 0.424044 -1.745162
N -3.493381 -0.200532 -0.350221
N 3.208019 -0.530573 0.409170
C -0.003486 2.889616 0.166507
C 0.874848 3.776893 1.098068
C -0.720988 3.947956 -0.729028
C 1.392236 4.923582 0.188167
C 0.285980 5.130269 -0.900366
C -0.978349 2.044832 0.997585
C 0.861286 1.990583 -0.738266
C -2.745085 0.387685 0.655960
C 2.633257 0.314719 -0.525032
C -4.507665 -1.189729 -0.219661
C 4.258470 -1.469048 0.207946
C -5.130223 -1.645343 -1.412893
C 4.666469 -2.239695 1.329776
C -4.909145 -1.722371 1.034029
C 4.896966 -1.655122 -1.046730
C -6.143592 -2.623158 -1.355170
C 5.702386 -3.186536 1.200419
C -5.925898 -2.700915 1.072934
C 5.932882 -2.607705 -1.157819
C -6.549503 -3.158598 -0.110422
C 6.344194 -3.377389 -0.045596
H 0.238728 4.190666 1.905959
H 1.688903 3.203398 1.573929
H -1.048231 3.524097 -1.695291
H -1.634786 4.289402 -0.207282
H 2.349887 4.635894 -0.282854
H 1.586991 5.844150 0.765987
H 0.728102 5.137353 -1.912807
H -0.228534 6.099218 -0.772492
H -0.451023 1.305792 1.625575
H -1.604217 2.684824 1.646816
H 0.227391 1.378443 -1.403762
H 1.564169 2.576439 -1.356298
H -3.277206 0.127091 -1.294134
H 2.812368 -0.464818 1.349571
H -4.820217 -1.235309 -2.382764
H 4.172254 -2.098285 2.299631
H -4.428189 -1.371145 1.949125
H 4.578958 -1.063788 -1.907738
H -6.614746 -2.965992 -2.282965
H 6.006552 -3.774735 2.073249
H -6.231447 -3.108548 2.043180
H 6.421738 -2.747477 -2.128597
H -7.336715 -3.918403 -0.065248
H 7.148968 -4.113074 -0.146472


