%chk=000071144.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071144

0 1
 O    2.181600      -1.775200     -0.6855000    
 O    4.823300      -1.219000      -1.351600    
 O   -1.873400      0.7052000       1.029100    
 N    2.961700       1.516400      0.3104000    
 N   -3.904200     -0.1709000      0.3201000    
 N   -3.094000       1.762500     -0.6369000    
 C    3.861200     -0.1633000      -1.273900    
 C    3.938300      0.4516000      0.1257000    
 C    3.017900       2.045100       1.666500    
 C    2.484900     -0.7339000      -1.608800    
 C    2.731600      0.9420000       2.677100    
 C    2.046200       3.207500       1.828000    
 C   -3.265400      -2.543300      0.5678000    
 C   -1.825800      -2.340100      0.2367000    
 C   -3.930200      -1.311800       1.195500    
 C   0.8598000      -1.961500     -0.3809000    
 C  -0.8440000      -2.639000       1.181500    
 C   -1.460900      -1.851300      -1.017600    
 C   -2.173800       2.853000     -0.8584000    
 C   0.5028000      -2.449100      0.8718000    
 C  -0.1142000      -1.661600      -1.327400    
 C   -2.865600      0.7616000      0.3038000    
 C   -1.127500       2.467400      -1.896500    
 C   -2.930100       4.107300      -1.276500    
 H    4.129900      0.5852000      -2.028900    
 H    4.954500      0.8334000      0.2893000    
 H    3.805000     -0.3703000      0.8363000    
 H    4.023000       2.441500       1.862100    
 H    3.133800       2.261900     -0.3635000    
 H    2.509800      -1.173800      -2.612900    
 H    1.749900      7.9899997E-02  -1.589600    
 H   -3.810900      -2.829300     -0.3414000    
 H   -3.371200      -3.394600       1.252200    
 H    1.837600      0.3666000       2.410400    
 H    2.552300       1.372500       3.669500    
 H    3.571900      0.2515000       2.798200    
 H    2.271400       4.010800       1.117500    
 H    2.108700       3.631200       2.836100    
 H    1.010900       2.889100       1.660200    
 H   -3.436300      -1.049300       2.138100    
 H   -4.980800      -1.530200       1.413300    
 H   -1.115600      -3.017600       2.163400    
 H   -2.214300      -1.623900      -1.767200    
 H   -1.657600       3.061000      8.6800002E-02
 H    1.264400      -2.681000       1.610800    
 H   0.1277000      -1.309700      -2.325500    
 H    5.698400     -0.8307000      -1.181400    
 H   -4.676000     -4.5699999E-02 -0.3274000    
 H   -3.905500       1.679800      -1.242100    
 H   -1.593100       2.219500      -2.856900    
 H  -0.4184000       3.285400      -2.060800    
 H  -0.5583000       1.590200      -1.570800    
 H   -3.666900       4.387900     -0.5158000    
 H   -3.470600       3.951800      -2.217000    
 H   -2.245300       4.950800      -1.412200    


%chk=000071144-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071144

0 1
O 2.252491 -1.702119 -0.516613
O 5.000665 -1.286873 -1.492511
O -2.133956 0.893664 1.508246
N 3.162838 1.611756 0.113117
N -3.872464 -0.231117 0.400883
N -3.009496 1.774018 -0.477632
C 3.998758 -0.219143 -1.350057
C 4.068205 0.449505 0.042891
C 2.753850 2.053072 1.481244
C 2.627895 -0.827851 -1.637081
C 1.694927 1.101706 2.079522
C 2.211165 3.493789 1.390639
C -3.304665 -2.690917 0.611437
C -1.842454 -2.550367 0.228706
C -3.860417 -1.397258 1.289085
C 0.891259 -1.997667 -0.356740
C -0.817556 -2.845143 1.167685
C -1.457058 -2.025849 -1.027125
C -2.064298 2.908790 -0.529023
C 0.533408 -2.581361 0.883994
C -0.105153 -1.746252 -1.331368
C -2.947314 0.812712 0.533914
C -0.829866 2.575205 -1.402615
C -2.795541 4.176839 -1.018315
H 4.173529 0.558510 -2.131490
H 5.138306 0.711726 0.256832
H 3.758280 -0.296888 0.791979
H 3.640544 2.063158 2.165157
H 3.523501 2.405525 -0.434831
H 2.665582 -1.411979 -2.577250
H 1.900393 0.002270 -1.721317
H -3.924318 -2.924775 -0.277628
H -3.443676 -3.525276 1.326934
H 0.747818 1.152586 1.513883
H 1.484509 1.376540 3.130033
H 2.036294 0.051432 2.066784
H 2.984041 4.199087 1.026076
H 1.872351 3.842504 2.381781
H 1.348848 3.529103 0.699601
H -3.226059 -1.122699 2.149345
H -4.885672 -1.590950 1.662787
H -1.085844 -3.264029 2.145646
H -2.224412 -1.821281 -1.783980
H -1.726177 3.053653 0.512918
H 1.322740 -2.791576 1.612574
H 0.156302 -1.337767 -2.312282
H 5.849739 -0.987300 -1.078029
H -4.517620 -0.237259 -0.390338
H -3.607039 1.624092 -1.293041
H -1.130938 2.385174 -2.451319
H -0.111726 3.416565 -1.401091
H -0.314760 1.680109 -1.012894
H -3.652961 4.413974 -0.364264
H -3.170372 4.048697 -2.053514
H -2.107827 5.041441 -1.020543


