%chk=000097737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097737

0 1
 O    3.270100      -1.122600     -0.5767000    
 O    3.219700       1.142600       1.204000    
 N  -0.3235000     -0.9975000      0.2595000    
 N   -3.074400     -0.2938000     -5.2099999E-02
 C  -0.7134000      9.1200002E-02 -0.6451000    
 C   -1.361700      -2.035200      0.2683000    
 C   0.9637000      -1.562900     -0.1432000    
 C   -2.031500      0.7291000     -0.2005000    
 C   -2.702300      -1.468500      0.7425000    
 C    2.052900     -0.5004000     -0.1426000    
 C    2.246700      9.3900003E-02   1.246300    
 C   -4.410900      0.1183000     -9.7599998E-02
 C    4.363200     -0.3268000     -0.3563000    
 C    4.335700      0.7774000      0.4983000    
 C   -4.933800      0.7617000      -1.237300    
 C   -5.274300     -9.7199999E-02  0.9952000    
 C    5.541700     -0.6668000      -1.021200    
 C    5.474200       1.568400      0.6547000    
 C   -6.265800       1.173200      -1.282300    
 C   -6.606400      0.3141000      0.9500000    
 C   -7.102100      0.9493000     -0.1888000    
 C    6.683700      0.1167000     -0.8537000    
 C    6.648400       1.235800     -2.1299999E-02
 H  -0.8070000     -0.2718000      -1.677400    
 H   6.3000000E-03  0.9137000     -0.6449000    
 H   -1.074800      -2.848200      0.9463000    
 H   -1.482200      -2.471600     -0.7326000    
 H   0.9058000      -2.024700      -1.138600    
 H    1.252400      -2.370400      0.5431000    
 H   -2.311900       1.486600     -0.9415000    
 H   -1.897100       1.247800      0.7577000    
 H   -2.632200      -1.194100       1.802900    
 H   -3.458800      -2.257100      0.6456000    
 H    1.861500      0.2840000     -0.8831000    
 H    1.325500      0.5405000       1.632600    
 H    2.584400     -0.6603000       1.969100    
 H   -4.303800      0.9358000      -2.106900    
 H   -4.920500     -0.5772000       1.904100    
 H    5.575300      -1.531700      -1.678200    
 H    5.458100       2.436500       1.307900    
 H   -6.652700       1.665300      -2.169800    
 H   -7.257300      0.1426000       1.802300    
 H   -8.139400       1.269600     -0.2238000    
 H    7.600500     -0.1422000      -1.375500    
 H    7.537800       1.846600      0.1041000    


%chk=000097737-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097737

0 1
O 3.329480 -1.003206 -0.676319
O 3.453230 1.060635 1.395649
N -0.337412 -0.776043 0.040265
N -3.184875 -0.236904 -0.107859
C -0.902281 0.047868 -1.058940
C -1.333830 -1.795119 0.453099
C 0.980190 -1.366586 -0.294371
C -2.189269 0.746365 -0.592375
C -2.638848 -1.131690 0.929325
C 2.113502 -0.342078 -0.135579
C 2.360274 0.066592 1.320902
C -4.562844 0.106068 -0.082837
C 4.530681 -0.321984 -0.362573
C 4.587090 0.692290 0.634031
C -5.141846 0.889006 -1.129297
C -5.430707 -0.348784 0.956697
C 5.693998 -0.673622 -1.076810
C 5.799842 1.365871 0.884538
C -6.516837 1.192792 -1.133019
C -6.809336 -0.046847 0.935408
C -7.369774 0.726993 -0.104184
C 6.910130 -0.006359 -0.814859
C 6.960516 1.021215 0.158854
H -1.127437 -0.581291 -1.956719
H -0.168828 0.818218 -1.357246
H -0.913071 -2.390063 1.284486
H -1.574794 -2.493579 -0.387358
H 1.021826 -1.774499 -1.332717
H 1.176317 -2.211664 0.392002
H -2.605509 1.323882 -1.431319
H -1.930658 1.464069 0.219917
H -2.444373 -0.581280 1.879685
H -3.368411 -1.932745 1.138130
H 1.925043 0.570002 -0.737410
H 1.471247 0.556376 1.744229
H 2.632433 -0.822611 1.924615
H -4.525551 1.239699 -1.963160
H -5.035444 -0.920983 1.800806
H 5.623337 -1.460656 -1.834393
H 5.813474 2.144602 1.653653
H -6.927198 1.789840 -1.955943
H -7.445470 -0.411486 1.750637
H -8.438701 0.963313 -0.113639
H 7.810578 -0.282908 -1.372960
H 7.899918 1.546996 0.358460


