%chk=000056820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056820

0 1
 O    3.728700      0.7469000     -0.4070000    
 O  -0.3514000       1.786800     -0.6192000    
 O    2.114400       1.987700      -1.473700    
 N   -4.458400      1.3200000E-02  0.2454000    
 N  -0.8690000      0.3987000       1.150300    
 C   -4.788200       1.152300     -0.6107000    
 C   -5.266600      -1.093100     -0.2666000    
 C   -6.297900       1.038900     -0.7630000    
 C   -6.612600     -0.4361000     -0.5334000    
 C   -3.035000     -0.2907000      0.2422000    
 C    1.488400      0.5386000      0.4213000    
 C   -2.286000      0.6768000       1.146800    
 C    1.981800       1.017100       1.826300    
 C   6.6000000E-03  0.9890000      0.2464000    
 C    1.535900     -0.9924000      0.2163000    
 C    2.446900       1.184200     -0.6116000    
 C    1.936200       2.531300       2.032800    
 C    1.125000      -1.546800     -0.9960000    
 C    1.990100      -1.820000       1.243200    
 C    1.168000      -2.928600      -1.181200    
 C    2.033200      -3.201900       1.057800    
 C    1.622200      -3.756100     -0.1545000    
 C    4.718300       1.293000      -1.284600    
 C    6.069300      0.7113000     -0.9271000    
 H   -4.312800       1.075500      -1.597100    
 H   -4.510600       2.111800     -0.1639000    
 H   -5.354300      -1.910900      0.4556000    
 H   -4.856700      -1.494200      -1.202600    
 H   -6.812700       1.649100     -1.1400000E-02
 H   -6.627900       1.374500      -1.751400    
 H   -7.113600     -0.8834000      -1.397800    
 H   -7.276600     -0.5429000      0.3325000    
 H   -2.873000      -1.303400      0.6360000    
 H   -2.616800     -0.2900000     -0.7730000    
 H   -2.433000       1.715900      0.8337000    
 H   -2.632500      0.5853000       2.182300    
 H    1.378500      0.5662000       2.624200    
 H    3.016600      0.6968000       2.005300    
 H  -0.5212000     -0.2682000       1.831900    
 H   0.9190000       2.921300       1.933900    
 H    2.288400       2.778100       3.039900    
 H    2.580100       3.056200       1.321000    
 H   0.7692000     -0.9172000      -1.807200    
 H    2.320400      -1.441200       2.203700    
 H   0.8480000      -3.360200      -2.125100    
 H    2.386600      -3.847000       1.857000    
 H    1.655700      -4.832000     -0.2988000    
 H    4.468000       1.038200      -2.320400    
 H    4.743300       2.382700      -1.173100    
 H    6.851600       1.108200      -1.580100    
 H    6.054200     -0.3800000      -1.015700    
 H    6.325100      0.9421000      0.1122000    


%chk=000056820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056820

0 1
O 3.565855 1.062437 -0.487286
O -0.261160 1.838474 0.114616
O 1.733168 0.637707 -1.845458
N -4.491445 0.009464 -0.079102
N -0.868777 -0.197859 1.050786
C -4.809207 1.462092 -0.193744
C -5.333202 -0.652860 -1.110275
C -6.333326 1.505930 -0.508915
C -6.700157 0.049094 -0.949732
C -3.057220 -0.321850 -0.160131
C 1.553373 0.220750 0.602170
C -2.300852 0.134249 1.111159
C 2.181772 0.877696 1.878147
C 0.056545 0.683949 0.527690
C 1.689645 -1.329254 0.613846
C 2.244999 0.680191 -0.705123
C 2.123989 2.417375 1.953861
C 1.191800 -2.078644 -0.490405
C 2.288016 -2.034993 1.689132
C 1.290402 -3.485165 -0.514752
C 2.383986 -3.446321 1.665352
C 1.886134 -4.178435 0.565564
C 4.347169 1.422782 -1.712697
C 5.743870 1.814854 -1.243006
H -4.224895 1.934452 -1.022919
H -4.554257 1.995763 0.738327
H -5.379168 -1.742669 -0.933251
H -4.932034 -0.487936 -2.143909
H -6.917978 1.803412 0.378097
H -6.543502 2.240429 -1.305931
H -7.289648 0.022437 -1.882750
H -7.286965 -0.451592 -0.160458
H -2.961328 -1.420620 -0.261814
H -2.563307 0.143241 -1.050552
H -2.376068 1.229387 1.220161
H -2.754960 -0.342066 1.998446
H 1.661022 0.453544 2.759679
H 3.239134 0.560893 1.931181
H -0.564493 -1.143761 1.290267
H 1.090187 2.796666 1.919463
H 2.590509 2.754149 2.898342
H 2.678575 2.876459 1.118204
H 0.743078 -1.547471 -1.337540
H 2.688370 -1.494987 2.551239
H 0.904810 -4.039890 -1.377498
H 2.851341 -3.969882 2.507054
H 1.963447 -5.271212 0.547257
H 4.353085 0.546365 -2.385857
H 3.820925 2.247484 -2.225881
H 6.366737 2.090678 -2.113504
H 6.233271 0.977177 -0.717293
H 5.701636 2.679289 -0.558458


