%chk=000091695.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091695

0 1
 O   -4.607700      -1.843200      0.1242000    
 N   -2.881200      0.4121000      0.3497000    
 C   -1.627600       1.075300      0.7040000    
 C  -0.9935000       1.798200     -0.5019000    
 C   -2.652100     -0.6249000     -0.6663000    
 C   -3.503300     -0.1922000       1.535700    
 C   -3.980800      -1.291200      -1.038300    
 C   -4.820500     -0.8862000       1.168500    
 C   0.3358000       2.482100     -0.1096000    
 C   -1.944400       2.853100      -1.084100    
 C   -3.759400      -2.431800      -2.024200    
 C   -5.943700      8.7899998E-02  0.8157000    
 C    1.516200       1.543100     -4.6000000E-02
 C    4.850900      -1.106300      0.1339000    
 C    3.684200     -0.1794000      7.1199998E-02
 C    1.814000      0.9068000       1.148300    
 C    2.280800       1.335400      -1.183100    
 C    2.905200      3.9999999E-02   1.207400    
 C    3.372000      0.4684000      -1.124100    
 C    4.407400      -2.547800      0.5335000    
 C    5.898100     -0.6276000       1.186900    
 C    5.649600      -1.271700      -1.201500    
 H  -0.9245000      0.3442000       1.119100    
 H   -1.819700       1.816100       1.491300    
 H  -0.7542000       1.090000      -1.302100    
 H   -1.944800      -1.376400     -0.2902000    
 H   -2.246600     -0.2108000      -1.593100    
 H   -3.697500      0.5727000       2.297200    
 H   -2.822500     -0.9330000       1.976700    
 H   -4.658200     -0.5668000      -1.505900    
 H   -5.153000      -1.463100       2.039600    
 H   0.5782000       3.270900     -0.8353000    
 H   0.2273000       3.007500      0.8488000    
 H   -2.871600       2.402300      -1.451500    
 H   -1.480600       3.369100      -1.931900    
 H   -2.205600       3.606200     -0.3330000    
 H   -4.713300      -2.908000      -2.275800    
 H   -3.293200      -2.075800      -2.947900    
 H   -3.125300      -3.211400      -1.587400    
 H   -6.838200     -0.4613000      0.5030000    
 H   -6.200300      0.7114000       1.678100    
 H   -5.674500      0.7535000     -9.8999999E-03
 H    1.219800       1.076100       2.041600    
 H    2.043600       1.833500      -2.118800    
 H    3.126700     -0.4498000       2.151300    
 H    3.942400      0.3341000      -2.036500    
 H    3.672900      -2.940600     -0.1795000    
 H    3.949000      -2.573900       1.528200    
 H    5.259900      -3.236500      0.5524000    
 H    6.252600      0.3829000      0.9517000    
 H    6.769400      -1.292200       1.213600    
 H    5.479200     -0.6036000       2.198900    
 H    6.070900     -0.3173000      -1.538600    
 H    5.017100      -1.676100      -2.000500    
 H    6.489500      -1.965800      -1.075800    


%chk=000091695-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091695

0 1
O -4.599405 -1.927726 -0.027624
N -2.771127 0.286986 0.297309
C -1.570903 1.048770 0.728296
C -1.064888 2.052404 -0.338106
C -2.450926 -0.836393 -0.619380
C -3.576498 -0.214599 1.438245
C -3.745373 -1.481816 -1.154033
C -4.897641 -0.839354 0.936594
C 0.301868 2.671988 0.094649
C -2.112001 3.158018 -0.593948
C -3.484453 -2.729125 -1.999535
C -5.876685 0.198348 0.354110
C 1.467376 1.692159 0.089845
C 4.829094 -1.205202 0.070221
C 3.660142 -0.190842 0.049946
C 2.029237 1.190540 1.291850
C 2.028679 1.239245 -1.129768
C 3.098498 0.271071 1.271487
C 3.099936 0.317995 -1.150143
C 4.359261 -2.515140 0.772965
C 6.029585 -0.601602 0.860099
C 5.320176 -1.567685 -1.354816
H -0.738131 0.362604 1.019466
H -1.846703 1.625677 1.634530
H -0.895422 1.503426 -1.287647
H -1.842160 -1.622818 -0.101250
H -1.857361 -0.456948 -1.471262
H -3.804791 0.630120 2.114979
H -3.019840 -0.988767 2.025727
H -4.295555 -0.720930 -1.748185
H -5.380739 -1.376205 1.773867
H 0.521481 3.511951 -0.594355
H 0.183490 3.115552 1.104060
H -3.096336 2.705207 -0.805777
H -1.822664 3.798432 -1.448175
H -2.218767 3.809739 0.295646
H -4.440251 -3.164187 -2.338017
H -2.876276 -2.480836 -2.888734
H -2.950575 -3.492466 -1.405885
H -6.721176 -0.314723 -0.138296
H -6.282758 0.834312 1.162947
H -5.372824 0.855378 -0.374937
H 1.625145 1.528338 2.254795
H 1.628236 1.618612 -2.079239
H 3.501203 -0.089050 2.225930
H 3.501503 0.002218 -2.117958
H 3.514948 -2.973028 0.225713
H 4.026598 -2.323594 1.808784
H 5.187272 -3.248235 0.810799
H 6.390289 0.325923 0.378893
H 6.866850 -1.324177 0.893926
H 5.752285 -0.356015 1.900882
H 5.692874 -0.679042 -1.897092
H 4.519100 -2.033681 -1.958195
H 6.152004 -2.292628 -1.286501


