%chk=000029901.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029901

0 1
 O   0.1434000       2.263900      0.9223000    
 O    6.247000      0.5634000     -0.6040000    
 N   -4.852500       1.328100     -7.5800002E-02
 N   -1.402600      0.5297000      0.4613000    
 N   0.8922000      7.0900001E-02  0.7527000    
 C   -2.570000       1.364900      0.3913000    
 C   -2.795000       1.958700      -1.001300    
 C   -3.850900      0.5965000      0.7004000    
 C   -4.220500       1.567900      -1.373400    
 C   -6.105000      0.5961000     -0.1958000    
 C   -1.539400     -0.9006000      0.1650000    
 C  -8.9699998E-02   1.069300      0.7317000    
 C   -1.745900      -1.740000       1.215500    
 C   -1.450400      -1.281200      -1.138100    
 C   -1.876400      -3.099900      0.9341000    
 C   -1.581000      -2.641200      -1.419400    
 C    2.259400      0.1961000      0.4059000    
 C   -1.794000      -3.550400     -0.3832000    
 C    3.083600     -0.9130000      0.4907000    
 C    2.741700       1.425800     -9.2000002E-03
 C    4.430600     -0.7888000      0.1505000    
 C    4.088700       1.550100     -0.3496000    
 C    4.933200      0.4427000     -0.2699000    
 C    7.053600     -0.6091000     -0.5015000    
 H   -2.446200       2.191100       1.104000    
 H   -2.076500       1.622300      -1.754700    
 H   -2.712600       3.051400     -0.9429000    
 H   -3.869800     -0.4470000      0.3788000    
 H   -4.076100      0.6221000       1.772400    
 H   -4.722300       2.361800      -1.935500    
 H   -4.203500      0.6603000      -1.990400    
 H   -6.545500      0.4294000      0.7932000    
 H   -5.979800     -0.3771000     -0.6843000    
 H   -6.830800       1.177700     -0.7745000    
 H   -1.808700      -1.388500       2.239900    
 H   -1.275600     -0.5796000      -1.945700    
 H   0.6196000     -0.8715000       1.010500    
 H   -2.041800      -3.807900       1.740900    
 H   -1.514700      -2.992400      -2.445000    
 H   -1.895100      -4.609400     -0.6024000    
 H    2.701100      -1.876300      0.8168000    
 H    2.132200       2.313100     -0.1189000    
 H    5.030100      -1.688700      0.2351000    
 H    4.473900       2.510000     -0.6827000    
 H    6.716400      -1.391000      -1.190500    
 H    7.116000     -0.9654000      0.5323000    
 H    8.068000     -0.3311000     -0.8055000    


%chk=000029901-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029901

0 1
O 0.058541 2.128671 -0.092984
O 6.509249 0.860556 0.478473
N -4.731730 1.761816 0.309279
N -1.385214 0.289040 -0.344371
N 0.947356 -0.051576 -0.155010
C -2.556228 1.201374 -0.373470
C -3.480768 1.067179 -1.630121
C -3.536330 1.060620 0.819929
C -4.922968 1.277219 -1.085025
C -5.925307 1.686517 1.159371
C -1.562634 -1.139749 -0.474248
C -0.100827 0.872664 -0.191631
C -1.837389 -1.937252 0.667595
C -1.449708 -1.759229 -1.747145
C -2.011001 -3.333415 0.534254
C -1.622814 -3.156075 -1.876849
C 2.338468 0.211568 0.001433
C -1.907393 -3.944939 -0.737466
C 3.214783 -0.903001 0.011896
C 2.884385 1.518127 0.148326
C 4.608058 -0.737535 0.167188
C 4.271689 1.682544 0.302750
C 5.142054 0.565432 0.314671
C 7.438092 -0.268146 0.507244
H -2.120589 2.212774 -0.340551
H -3.384434 0.069642 -2.091531
H -3.205961 1.818828 -2.388386
H -3.740111 -0.019674 1.041505
H -3.151983 1.541327 1.736616
H -5.504483 2.013526 -1.668470
H -5.484672 0.308107 -1.105917
H -5.705134 2.108756 2.156141
H -6.302627 0.640264 1.299943
H -6.740278 2.283864 0.711863
H -1.898144 -1.457279 1.649964
H -1.220127 -1.139037 -2.620565
H 0.691178 -1.037837 -0.241666
H -2.222678 -3.942092 1.420193
H -1.535896 -3.625818 -2.862723
H -2.043092 -5.027261 -0.839002
H 2.808416 -1.916635 -0.101792
H 2.213809 2.378826 0.140520
H 5.252147 -1.621758 0.170437
H 4.703279 2.681712 0.417833
H 7.419003 -0.834153 -0.445464
H 7.215555 -0.954883 1.348167
H 8.432855 0.179592 0.649899


