%chk=000091186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091186

0 1
 O    3.966700       1.172300       1.197000    
 O    4.097600      -1.748400       1.505600    
 N    4.148800      9.0099998E-02 -0.8132000    
 C    5.303300     -0.3161000      1.2900000E-02
 C    5.296100      0.6675000       1.177900    
 C    6.580500     -0.2182000     -0.8146000    
 C    1.041800      0.5625000      6.6500001E-02
 C  -0.3499000       1.114800     -0.2505000    
 C    2.172800       1.495900     -0.3510000    
 C    3.479000      0.8704000     -2.6600000E-02
 C   -1.483100      0.1659000      0.1457000    
 C    5.075000      -1.756500      0.4809000    
 C   -2.849000      0.7509000     -0.2208000    
 C   -3.985400     -0.1806000      0.2046000    
 C   -5.348900      0.3882000     -0.1913000    
 C   -6.483700     -0.5594000      0.2049000    
 C    6.565500      -1.203400      -1.965100    
 C   -7.844100     -3.7000000E-03 -0.2225000    
 C   -9.013300     -0.9258000      0.1296000    
 C   -10.36980     -0.3664000     -0.2701000    
 H    5.546700      0.2173000       2.143600    
 H    5.971500       1.516200       1.018400    
 H    7.460200     -0.4059000     -0.1873000    
 H    6.688000      0.7949000      -1.222600    
 H    1.166300     -0.4068000     -0.4334000    
 H    1.113000      0.3608000       1.143200    
 H  -0.4137000       1.323700      -1.325600    
 H  -0.4816000       2.073300      0.2668000    
 H    2.092500       2.460100      0.1628000    
 H    2.133600       1.692000      -1.428200    
 H   -1.348100     -0.7983000     -0.3590000    
 H   -1.438800     -2.4300000E-02   1.224800    
 H   -2.974700       1.726500      0.2644000    
 H   -2.896100      0.9195000      -1.303600    
 H    4.712600      -2.402900     -0.3251000    
 H    5.991600      -2.183900      0.9013000    
 H   -3.848000      -1.162800     -0.2639000    
 H   -3.950900     -0.3325000       1.290200    
 H   -5.496300       1.361900      0.2913000    
 H   -5.374500      0.5570000      -1.274900    
 H   -6.326900      -1.538600     -0.2634000    
 H   -6.474500     -0.7141000       1.290500    
 H    6.627400      -2.240700      -1.622800    
 H    7.438900      -1.031500      -2.604000    
 H    5.677400      -1.094200      -2.595100    
 H   -8.000800      0.9721000      0.2541000    
 H   -7.841200      0.1704000      -1.305700    
 H   -9.014000      -1.114300       1.209700    
 H   -8.871100      -1.895700     -0.3618000    
 H    3.974100      -2.669200       1.792500    
 H   -11.16570      -1.065600      4.4999998E-03
 H   -10.56290      0.5858000      0.2340000    
 H   -10.41960     -0.1994000      -1.350600    


%chk=000091186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091186

0 1
O 3.676917 0.866277 1.072497
O 4.604997 -2.522627 1.036855
N 4.445499 -0.243879 -0.824862
C 5.567334 -0.379009 0.182196
C 5.027442 0.347473 1.466222
C 6.856696 0.295482 -0.360035
C 0.952685 0.165216 -0.125632
C -0.404202 0.651258 -0.680132
C 2.156321 0.814793 -0.862555
C 3.480525 0.436779 -0.263070
C -1.610521 -0.016614 0.017201
C 5.781555 -1.891600 0.434562
C -2.974807 0.508780 -0.483717
C -4.179336 -0.186570 0.189920
C -5.545969 0.342339 -0.299725
C -6.748350 -0.363324 0.367560
C 7.410220 -0.310344 -1.669008
C -8.116977 0.152689 -0.130700
C -9.317530 -0.555227 0.537965
C -10.681655 -0.045175 0.025367
H 4.880890 -0.342559 2.312257
H 5.639234 1.216879 1.760438
H 7.630666 0.256558 0.434433
H 6.624326 1.365675 -0.525991
H 1.016511 -0.937717 -0.219999
H 1.022016 0.399232 0.953725
H -0.451709 0.452559 -1.771158
H -0.476134 1.752769 -0.559165
H 2.047969 1.915880 -0.814595
H 2.167502 0.521778 -1.926128
H -1.563687 -1.114715 -0.138089
H -1.534963 0.146337 1.112906
H -3.035744 1.602586 -0.302759
H -3.038731 0.371455 -1.583509
H 6.031513 -2.379541 -0.526498
H 6.602388 -2.057831 1.153575
H -4.122953 -1.279294 0.002084
H -4.108662 -0.056347 1.290579
H -5.608398 1.434009 -0.106462
H -5.612797 0.217575 -1.400892
H -6.680358 -1.455808 0.181187
H -6.685455 -0.231549 1.468463
H 7.810858 -1.329415 -1.520198
H 8.233147 0.312412 -2.063862
H 6.614658 -0.360755 -2.432697
H -8.188116 1.245354 0.054138
H -8.180751 0.019644 -1.231254
H -9.257971 -0.413392 1.636663
H -9.239589 -1.647703 0.361275
H 3.875959 -2.507528 0.365128
H -11.522266 -0.569069 0.517048
H -10.798495 1.038043 0.219333
H -10.777399 -0.201438 -1.065885


