%chk=000060113.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060113

0 1
 O    4.138800      -2.732600     -0.2999000    
 O    1.524100      -1.943700      0.2218000    
 O   -3.632300     -0.1442000      0.9670000    
 O   -5.695600       1.571400      -1.401800    
 N    3.411700      0.8651000     -0.7626000    
 C    3.806100       2.044300      1.5100000E-02
 C    3.969300     -0.3425000     -0.1774000    
 C    3.581700      -1.595700     -0.9658000    
 C    3.186500       3.286700     -0.6334000    
 C    3.283200       1.882300       1.446400    
 C    5.334900       2.160800      2.2600001E-02
 C    2.072100      -1.793000      -1.084100    
 C   0.2433000      -1.496400      0.4069000    
 C  -0.6555000      -1.520200     -0.6544000    
 C  -0.1480000      -1.022500       1.654700    
 C   -1.960500      -1.064800     -0.4658000    
 C   -1.452900     -0.5672000       1.843300    
 C   -2.359100     -0.5884000      0.7830000    
 C   -4.064300      0.9049000      0.2050000    
 C   -5.244500      0.6812000     -0.6835000    
 C   -3.473100       2.106400      0.2292000    
 C   -5.865800     -0.6919000     -0.6663000    
 H    3.731200      0.9588000      -1.726500    
 H    5.064300     -0.3314000     -0.1556000    
 H    3.640700     -0.5068000      0.8536000    
 H    4.023900      -1.551000      -1.968400    
 H    2.092600       3.218000     -0.6614000    
 H    3.445900       4.195100     -7.7699997E-02
 H    3.539100       3.418400      -1.663200    
 H    3.854400       1.165500       2.045500    
 H    2.226800       1.588000       1.462700    
 H    3.352100       2.837100       1.982800    
 H    5.828000       1.421200      0.6617000    
 H    5.753300       2.081600     -0.9879000    
 H    5.636200       3.140700      0.4136000    
 H    1.646200     -0.9410000      -1.627800    
 H    1.866100      -2.713800      -1.642900    
 H    3.915900      -3.518800     -0.8270000    
 H  -0.3959000      -1.913900      -1.632400    
 H   0.5552000      -1.002900       2.482500    
 H   -2.656600      -1.101700      -1.299200    
 H   -1.757400     -0.1964000       2.818200    
 H   -2.620300       2.299200      0.8724000    
 H   -3.819500       2.935400     -0.3786000    
 H   -6.111700     -0.9846000      0.3580000    
 H   -5.185400      -1.416700      -1.119400    
 H   -6.794600     -0.6759000      -1.244700    


%chk=000060113-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060113

0 1
O 3.826275 -2.842660 0.141562
O 1.486409 -1.361351 0.115897
O -4.109749 -0.714803 -0.043312
O -6.975120 1.270756 0.829967
N 4.466466 0.748335 -0.822163
C 4.557090 2.128462 -0.236109
C 4.322932 -0.403637 0.095682
C 3.737958 -1.618653 -0.666865
C 4.861731 3.080863 -1.418084
C 3.191288 2.511556 0.386837
C 5.682295 2.247316 0.834825
C 2.295311 -1.374613 -1.125489
C 0.102702 -1.167996 0.004460
C -0.574084 -0.947608 -1.220833
C -0.621029 -1.206773 1.224221
C -1.975611 -0.761421 -1.218012
C -2.015904 -1.026309 1.221642
C -2.684497 -0.802580 -0.004124
C -4.742180 0.451279 0.451103
C -6.248913 0.316327 0.434910
C -4.113447 1.579574 0.879679
C -6.826209 -0.993990 -0.068694
H 5.246310 0.595791 -1.479238
H 5.273575 -0.735908 0.568660
H 3.625980 -0.132807 0.908598
H 4.357873 -1.825105 -1.559339
H 4.070844 3.004180 -2.185170
H 4.917954 4.128322 -1.072481
H 5.831257 2.829944 -1.891856
H 2.934868 1.871867 1.250839
H 2.389307 2.410260 -0.365523
H 3.213584 3.557591 0.742979
H 5.501768 1.558277 1.680130
H 6.669087 2.002805 0.397109
H 5.733739 3.274372 1.241915
H 2.229514 -0.396731 -1.639059
H 1.943089 -2.196130 -1.778782
H 3.090908 -2.802210 0.807866
H -0.030860 -0.918328 -2.168966
H -0.077310 -1.386481 2.156503
H -2.519431 -0.595106 -2.152726
H -2.585017 -1.066519 2.155602
H -3.026020 1.688039 0.889530
H -4.736449 2.407829 1.225915
H -6.452646 -1.838734 0.538361
H -6.490028 -1.190934 -1.102898
H -7.925012 -0.952257 -0.026768


