%chk=000145154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145154

0 1
 O    3.527900     -0.6738000     -0.6179000    
 O   -8.028300     -0.2372000      0.1215000    
 N   -1.946000     -0.5370000      0.2916000    
 N   -2.555200     -0.3512000     -0.7881000    
 C    2.331400       1.854400     -3.6100000E-02
 C    1.538600      0.5604000     -0.1053000    
 C    1.871900       2.906800      -1.065900    
 C    2.273700       2.446600       1.377300    
 C    2.184800     -0.6267000     -0.3927000    
 C   0.1762000      0.6126000      0.1238000    
 C    1.930300       2.402800      -2.502800    
 C    1.441900      -1.805700     -0.4532000    
 C  -0.5667000     -0.5665000      6.3199997E-02
 C   6.6000000E-02  -1.775500     -0.2254000    
 C    4.303600      -1.488800      0.2584000    
 C    5.670400     -0.8874000      0.4049000    
 C    6.683400      -1.258700     -0.4722000    
 C    5.911700      3.5999998E-02   1.416100    
 C    7.954100     -0.6995000     -0.3362000    
 C    7.182300      0.5952000       1.551800    
 C   -3.941500     -0.3218000     -0.5590000    
 C    8.203500      0.2274000      0.6756000    
 C   -4.568700      0.8865000     -0.2716000    
 C   -4.676100      -1.501900     -0.6195000    
 C   -6.685900     -0.2649000     -0.1019000    
 C   -5.944300      0.9149000     -4.2399999E-02
 C   -6.051800      -1.473600     -0.3904000    
 C   -8.518600      0.7689000       1.006500    
 C   -9.768800      0.2576000       1.690000    
 H    3.390100       1.655300     -0.2430000    
 H    2.515800       3.791500     -0.9823000    
 H   0.8514000       3.246800     -0.8521000    
 H    2.606500       1.715100       2.122400    
 H    2.930500       3.320200       1.453500    
 H    1.263900       2.769600       1.652500    
 H  -0.3272000       1.548600      0.3489000    
 H    1.689900       3.217200      -3.194000    
 H    2.932000       2.036200      -2.749400    
 H    1.212000       1.597200      -2.681100    
 H    1.919400      -2.753800     -0.6849000    
 H  -0.5045000      -2.699300     -0.2761000    
 H    3.831700      -1.577400       1.246700    
 H    4.374400      -2.499900     -0.1608000    
 H    6.499700      -1.978100      -1.265400    
 H    5.122500      0.3319000       2.101900    
 H    8.749200     -0.9854000      -1.018700    
 H    7.376300       1.317800       2.339000    
 H    9.192700      0.6631000      0.7811000    
 H   -3.998900       1.811000     -0.2298000    
 H   -4.189900      -2.447600     -0.8440000    
 H   -6.402800       1.880100      0.1515000    
 H   -6.624300      -2.395900     -0.4379000    
 H   -8.753400       1.671100      0.4310000    
 H   -7.791100       1.012200       1.791200    
 H   -9.552700     -0.6529000       2.258800    
 H   -10.53300     -3.5000001E-03  0.9505000    
 H   -10.17890       1.009600       2.370000    


%chk=000145154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145154

0 1
O 3.723306 -0.261813 -0.021990
O -8.227340 -0.496284 0.452711
N -1.888282 -0.914124 0.153398
N -2.616950 0.172566 0.266985
C 2.201651 2.111617 0.254763
C 1.544401 0.731805 0.156459
C 1.808331 3.023930 -0.945258
C 1.856564 2.797124 1.603574
C 2.333133 -0.456988 0.020372
C 0.147460 0.590468 0.200142
C 2.263607 2.476014 -2.314506
C 1.724775 -1.735833 -0.068188
C -0.480393 -0.685600 0.114862
C 0.323242 -1.844866 -0.019462
C 4.587820 -1.453613 -0.105156
C 6.032820 -1.003417 -0.030856
C 7.018382 -1.673232 -0.796142
C 6.423984 0.050977 0.831218
C 8.379346 -1.305903 -0.692751
C 7.782284 0.425115 0.927273
C -4.023995 -0.057943 0.308894
C 8.765189 -0.254630 0.169797
C -4.832570 1.102134 0.418427
C -4.651706 -1.340365 0.250776
C -6.847758 -0.271257 0.410836
C -6.237534 1.008927 0.469298
C -6.045947 -1.442875 0.301845
C -9.120347 0.677280 0.560596
C -10.549747 0.143616 0.580041
H 3.296557 1.966986 0.213418
H 2.259501 4.022868 -0.777267
H 0.709392 3.172346 -0.947774
H 2.155266 2.167250 2.461035
H 2.380655 3.767522 1.687663
H 0.771082 2.990376 1.690200
H -0.497907 1.468727 0.304792
H 1.992486 3.169570 -3.131651
H 3.360035 2.331786 -2.337474
H 1.791948 1.499634 -2.528525
H 2.327168 -2.641534 -0.178235
H -0.173113 -2.818386 -0.085329
H 4.340226 -2.128948 0.741866
H 4.392531 -1.996467 -1.051764
H 6.724568 -2.481516 -1.477669
H 5.659342 0.580810 1.408410
H 9.132954 -1.831831 -1.289399
H 8.074800 1.245472 1.592319
H 9.818947 0.035538 0.247012
H -4.332304 2.075324 0.462113
H -4.019180 -2.228982 0.166438
H -6.836314 1.920141 0.552550
H -6.551051 -2.413037 0.259704
H -8.950046 1.347183 -0.306878
H -8.883244 1.233323 1.490627
H -10.702431 -0.530183 1.440133
H -10.768587 -0.417786 -0.344084
H -11.265906 0.981584 0.659414


