%chk=000072026.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072026

0 1
 O   -2.231500     -0.9020000      -2.071000    
 O   0.6671000       2.900000       1.417800    
 N  -0.8138000      0.3663000     -0.7307000    
 N    1.680700       1.676100     -0.2715000    
 C    1.646600      0.4774000      -1.116900    
 C   -3.082000     -0.2176000      2.8300000E-02
 C   0.2487000      0.3661000      -1.731600    
 C   -3.939000       1.032500     -0.1830000    
 C   -3.931100      -1.490400     -3.1000001E-03
 C   -2.014600     -0.2893000      -1.023000    
 C   -5.097100       1.096700      0.8092000    
 C   -5.089500      -1.420300      0.9884000    
 C   -5.941600     -0.1734000      0.7717000    
 C    2.205300     -0.7348000     -0.3765000    
 C  -0.5831000       1.085200      0.5193000    
 C    2.915500       2.454500     -0.2487000    
 C   0.6269000       2.000100      0.5752000    
 C    4.025300       1.748200      0.5244000    
 C    3.540900     -0.7231000      9.7400002E-02
 C    4.477700      0.4442000     -0.1357000    
 C    1.435400      -1.891700     -0.1563000    
 C    4.045700      -1.843700      0.7845000    
 C    1.952000      -2.993100      0.5290000    
 C    3.255500      -2.968200       1.003000    
 H    2.316700      0.6521000      -1.970400    
 H   -2.635200     -0.1827000       1.027300    
 H   5.6499999E-02   1.241200      -2.366600    
 H   0.1660000     -0.5141000      -2.379400    
 H   -4.346100       1.028200      -1.203400    
 H   -3.348400       1.950600     -0.1078000    
 H   -3.307800      -2.364700      0.2221000    
 H   -4.345400      -1.655000      -1.006500    
 H   -5.728000       1.963900      0.5835000    
 H   -4.701600       1.243800       1.821700    
 H   -4.693900      -1.418700       2.011700    
 H   -5.714000      -2.315300      0.8898000    
 H   -6.720800     -0.1210000       1.540300    
 H   -6.451900     -0.2440000     -0.1969000    
 H  -0.4602000      0.3356000       1.309700    
 H   -1.451600       1.699800      0.7612000    
 H    2.722800       3.426200      0.2196000    
 H    3.218400       2.654200      -1.283000    
 H    3.709800       1.563000       1.558700    
 H    4.885500       2.427500      0.5673000    
 H    5.468600      0.1971000      0.2670000    
 H    4.625900      0.5791000      -1.214300    
 H   0.4138000      -1.969300     -0.5137000    
 H    5.068900      -1.848200       1.153300    
 H    1.332200      -3.870800      0.6880000    
 H    3.660100      -3.824000       1.534700    


%chk=000072026-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072026

0 1
O -1.931689 -1.010110 -1.840703
O 0.852921 3.219152 1.407364
N -0.774697 0.629375 -0.675155
N 1.806417 1.793612 -0.175900
C 1.683447 0.629460 -1.107782
C -3.038486 -0.113206 0.147870
C 0.270161 0.656642 -1.717010
C -4.137025 0.820124 -0.453701
C -3.622121 -1.519364 0.443317
C -1.877380 -0.210023 -0.848260
C -5.373893 0.899419 0.470949
C -4.862924 -1.435548 1.361910
C -5.947470 -0.506416 0.767513
C 2.116533 -0.699604 -0.459363
C -0.614192 1.553853 0.465141
C 3.122738 2.456767 -0.053955
C 0.750081 2.251983 0.587414
C 4.184485 1.581671 0.643549
C 3.455313 -0.842379 0.023895
C 4.501250 0.261886 -0.109144
C 1.229547 -1.801091 -0.369509
C 3.839741 -2.069112 0.619368
C 1.633095 -3.019444 0.220992
C 2.941304 -3.153028 0.730427
H 2.389540 0.843954 -1.938389
H -2.705309 0.334633 1.104300
H 0.173534 1.583117 -2.318263
H 0.089361 -0.201735 -2.383230
H -4.431869 0.413916 -1.441509
H -3.725852 1.834310 -0.629166
H -2.844109 -2.156255 0.907961
H -3.886966 -1.994242 -0.519775
H -6.147003 1.539139 0.002846
H -5.089657 1.387817 1.426387
H -4.562783 -1.052509 2.359918
H -5.275274 -2.450424 1.522483
H -6.807479 -0.428481 1.460475
H -6.330971 -0.948975 -0.174825
H -0.754904 1.014743 1.420960
H -1.362942 2.368940 0.442744
H 2.959468 3.387691 0.514158
H 3.471019 2.720779 -1.074075
H 3.862178 1.360704 1.677566
H 5.112392 2.183478 0.712821
H 5.467241 -0.130901 0.257528
H 4.658468 0.504928 -1.182815
H 0.217074 -1.731651 -0.775754
H 4.865761 -2.176663 0.992047
H 0.927470 -3.855659 0.275446
H 3.264755 -4.091072 1.195033


