%chk=000091185.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091185

0 1
 O    2.219100      0.8650000       1.439900    
 O    2.565500      -2.027000       1.040500    
 N    2.607800      0.3275000     -0.7523000    
 C    3.739600     -0.1967000      3.7999999E-02
 C    3.583600      0.4656000       1.402400    
 C    5.052000      0.1834000     -0.6391000    
 C    1.831500      0.8451000      0.1453000    
 C   0.5011000       1.447600     -0.1184000    
 C    3.600000      -1.719500      0.1238000    
 C  -0.6104000      0.4170000      5.4600000E-02
 C   -2.005600       1.017000     -0.1525000    
 C   -3.093100     -4.9600001E-02 -6.9999998E-04
 C   -4.510800      0.4907000     -0.2100000    
 C    5.185400     -0.4855000      -1.991700    
 C   -5.596000     -0.5806000     -8.3600000E-02
 C   -6.992400      2.6500000E-02 -0.2290000    
 C   -8.077100      -1.026600     -6.7100003E-02
 H    4.197000       1.368200       1.506600    
 H    3.811100     -0.1929000       2.246800    
 H    5.904700     -9.7599998E-02 -9.3000000E-03
 H    5.102000       1.270600     -0.7798000    
 H   0.3535000       2.292700      0.5637000    
 H   0.4930000       1.849100      -1.138000    
 H    3.339900      -2.168100     -0.8406000    
 H    4.521300      -2.178900      0.4981000    
 H  -0.4544000     -0.4067000     -0.6538000    
 H  -0.5488000     -2.4100000E-02   1.057700    
 H   -2.173200       1.820100      0.5749000    
 H   -2.068000       1.464800      -1.151500    
 H   -2.910100     -0.8564000     -0.7213000    
 H   -3.024700     -0.4967000      0.9987000    
 H   -4.697800       1.285200      0.5232000    
 H   -4.576300      0.9544000      -1.202200    
 H    6.078900     -0.1061000      -2.499800    
 H    5.309900      -1.569300      -1.907100    
 H    4.330700     -0.2803000      -2.643500    
 H   -5.443500      -1.350700     -0.8493000    
 H   -5.509900      -1.073100      0.8926000    
 H   -7.091800      0.4993000      -1.212900    
 H   -7.139000      0.8096000      0.5239000    
 H    2.499500      -2.996000       1.085300    
 H   -8.025500      -1.494300      0.9213000    
 H   -9.066500     -0.5715000     -0.1763000    
 H   -7.978300      -1.810900     -0.8243000    


%chk=000091185-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091185

0 1
O 2.038897 0.546773 1.267568
O 3.110051 -2.769653 0.208141
N 2.779548 -0.116137 -0.838659
C 3.934328 -0.422848 0.094181
C 3.363993 -0.113149 1.521404
C 5.145138 0.488852 -0.246572
C 1.819840 0.414027 -0.125385
C 0.486645 0.904367 -0.610681
C 4.276564 -1.924743 -0.060190
C -0.708273 0.134748 0.014247
C -2.068687 0.655631 -0.498022
C -3.270022 -0.088507 0.127038
C -4.637172 0.416952 -0.386710
C 5.663894 0.376469 -1.696875
C -5.837954 -0.316300 0.252331
C -7.206613 0.183409 -0.264201
C -8.399861 -0.550105 0.385570
H 3.978617 0.598721 2.095478
H 3.163768 -1.029637 2.101085
H 5.963799 0.261606 0.467726
H 4.837208 1.535278 -0.052014
H 0.391023 1.978949 -0.358793
H 0.474846 0.814428 -1.710492
H 4.667704 -2.112248 -1.078539
H 5.035680 -2.227710 0.681567
H -0.613385 -0.944271 -0.221812
H -0.660042 0.225069 1.115874
H -2.154218 1.740183 -0.276374
H -2.110843 0.558184 -1.603110
H -3.179159 -1.174717 -0.083189
H -3.231509 0.018080 1.231246
H -4.724445 1.505625 -0.186670
H -4.680944 0.299460 -1.489959
H 6.405343 1.169518 -1.902916
H 6.155826 -0.593710 -1.890815
H 4.827632 0.485399 -2.408467
H -5.750125 -1.405804 0.057166
H -5.797626 -0.194861 1.355264
H -7.248135 0.057142 -1.365541
H -7.291836 1.272868 -0.073364
H 2.402201 -2.490724 -0.431070
H -8.397299 -0.414310 1.483736
H -9.366132 -0.174970 0.000800
H -8.354363 -1.637033 0.183199


