%chk=000054172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054172

0 1
 O  -0.9416000       1.618300     -0.1344000    
 O    1.838200       1.597800      0.1836000    
 O    3.692000       2.591500     -0.7520000    
 N   -4.249300     -8.6000003E-03 -4.1299999E-02
 N    5.560200      -3.442800      0.3123000    
 C   -4.216300     -0.4564000       1.345900    
 C   -4.870600      -1.022100     -0.8956000    
 C   -2.898800      0.2973000     -0.5164000    
 C   -5.632900     -0.7140000       1.853300    
 C   -4.901400     -0.5461000      -2.345800    
 C   -2.253600       1.366000      0.3514000    
 C   -5.627600      -1.162300       3.306600    
 C   -5.562300      -1.573300      -3.251900    
 C  -0.2820000       2.612600      0.6375000    
 C    1.116000       2.819500      8.7300003E-02
 C    3.120000       1.624100     -0.2741000    
 C    3.760800      0.2937000     -0.1196000    
 C    5.124200      0.2294000      8.1699997E-02
 C    2.972700     -0.8374000     -0.1826000    
 C    4.951500      -2.179100      0.1662000    
 C    5.726300      -1.020600      0.2261000    
 C    3.574600      -2.087500     -3.8100000E-02
 H   -3.599800      -1.356800       1.465400    
 H   -3.818400      0.3120000       2.013500    
 H   -5.916400      -1.190500     -0.6247000    
 H   -4.344700      -1.983200     -0.8255000    
 H   -2.896400      0.7231000      -1.524000    
 H   -2.260800     -0.5961000     -0.5478000    
 H   -6.246800      0.1894000       1.755100    
 H   -6.132100      -1.517800       1.305200    
 H   -5.436000      0.4078000      -2.427600    
 H   -3.899600     -0.4071000      -2.761500    
 H   -2.132500       1.044100       1.388100    
 H   -2.841600       2.291600      0.3265000    
 H   -5.055200      -2.087300       3.431100    
 H   -5.187200     -0.3959000       3.952600    
 H   -6.650100      -1.347100       3.650900    
 H   -5.024600      -2.526700      -3.224400    
 H   -6.598800      -1.754600      -2.949400    
 H   -5.570100      -1.217900      -4.287300    
 H  -0.8433000       3.552300      0.5928000    
 H  -0.2201000       2.275300       1.678700    
 H    1.058400       3.112600     -0.9675000    
 H    1.629700       3.600100      0.6592000    
 H    5.737300       1.124200      0.1334000    
 H    1.901300     -0.7938000     -0.3542000    
 H    6.800000      -1.078800      0.3856000    
 H    2.960600      -2.983100     -8.9599997E-02
 H    6.558300      -3.509800      0.4612000    
 H    4.998900      -4.283000      0.2698000    


%chk=000054172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054172

0 1
O -0.966961 1.296116 -0.699965
O 1.964289 1.369829 -0.191376
O 3.845314 2.332477 -1.185174
N -4.289367 -0.351669 -0.197270
N 6.279301 -3.022885 1.614606
C -4.216420 -1.172866 1.039998
C -5.267518 -0.869660 -1.187930
C -2.955632 -0.066551 -0.783199
C -5.377241 -0.897800 2.020491
C -5.852119 0.231456 -2.099137
C -2.303070 1.148450 -0.109501
C -5.304676 -1.794534 3.275529
C -6.831797 -0.341879 -3.146115
C -0.223556 2.419439 -0.129677
C 1.152026 2.467885 -0.770137
C 3.335701 1.403641 -0.502547
C 4.063062 0.247517 0.063182
C 5.470997 0.173828 -0.120436
C 3.409488 -0.795688 0.774743
C 5.553580 -1.950735 1.106417
C 6.209297 -0.902445 0.390338
C 4.138494 -1.878207 1.288971
H -4.182572 -2.267794 0.803668
H -3.263920 -0.939455 1.553973
H -6.101460 -1.339205 -0.632465
H -4.819779 -1.676139 -1.824303
H -3.066885 0.156529 -1.858865
H -2.259473 -0.934906 -0.707450
H -5.347661 0.171171 2.304758
H -6.346217 -1.056950 1.507571
H -6.359320 0.979412 -1.460850
H -5.030867 0.765703 -2.616443
H -2.220407 0.997595 0.990231
H -2.918185 2.057027 -0.287373
H -5.358327 -2.866161 3.004483
H -4.357901 -1.635717 3.826228
H -6.137195 -1.579768 3.969705
H -6.327868 -1.075323 -3.803900
H -7.681397 -0.857239 -2.658761
H -7.245981 0.457373 -3.786975
H -0.754953 3.375667 -0.341540
H -0.128739 2.310120 0.972850
H 1.080952 2.326010 -1.863387
H 1.654998 3.431769 -0.570616
H 5.965766 0.979834 -0.672883
H 2.325304 -0.744453 0.909571
H 7.295011 -0.944986 0.240863
H 3.622128 -2.678467 1.833134
H 7.285092 -3.081084 1.482819
H 5.816762 -3.773286 2.119844


