%chk=000054542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054542

0 1
 O   2.7799999E-02  -2.201700     -0.2495000    
 O   -1.536000       1.500200      -1.150300    
 O   -1.611100      -2.840000       1.212300    
 N    2.856000      -1.992900     -0.3380000    
 N   -1.870000     -0.9918000     -0.2077000    
 C    3.817000      -1.746900      -1.422500    
 C    3.520300      -1.982400      0.9729000    
 C    4.518000     -0.3993000      -1.243500    
 C    4.211800     -0.6427000       1.230200    
 C    5.197800     -0.3046000      0.1177000    
 C    2.160600      -3.262200     -0.5488000    
 C   0.8437000      -3.285400      0.2106000    
 C   0.7036000       3.088000     -0.2508000    
 C    2.112300       3.276200      0.3194000    
 C   0.6794000       2.310700      -1.566000    
 C    2.134100       4.032700       1.648200    
 C  -0.7368000       2.177600      -2.110200    
 C   -1.202300      -2.082600      0.3406000    
 C   -2.870000       1.328300      -1.609600    
 C   -3.661800      0.6098000     -0.5567000    
 C   -3.144500     -0.5078000      9.8399997E-02
 C    3.557900       4.256600       2.135100    
 C   -4.936300       1.077900     -0.2368000    
 C   -3.901700      -1.157100       1.073500    
 C   -5.693500      0.4283000      0.7382000    
 C   -5.176300     -0.6891000       1.393200    
 H    3.295600      -1.727800      -2.387300    
 H    4.564800      -2.549500      -1.470300    
 H    2.796800      -2.132800       1.780900    
 H    4.258500      -2.792300       1.043600    
 H    5.259900     -0.2593000      -2.037700    
 H    3.785600      0.4121000      -1.343200    
 H    3.457900      0.1503000       1.306700    
 H    4.737900     -0.6761000       2.191100    
 H    5.601800      0.7026000      0.2671000    
 H    6.044200      -1.001400      0.1539000    
 H    2.783200      -4.123600     -0.2780000    
 H    1.913100      -3.367200      -1.613600    
 H   0.3272000      -4.228900     -3.1999999E-03
 H   0.9880000      -3.211500       1.293400    
 H   0.2469000       4.073800     -0.4041000    
 H   9.2399999E-02   2.569800      0.4982000    
 H    2.722500       3.816200     -0.4154000    
 H    2.579500       2.293700      0.4554000    
 H    1.311400       2.809100      -2.309500    
 H    1.096100       1.311100      -1.391200    
 H    1.574900       3.470000       2.404300    
 H    1.637700       5.002900       1.531300    
 H   -1.158800       3.168600      -2.313900    
 H  -0.7161000       1.604200      -3.044000    
 H   -3.304500       2.313600      -1.817000    
 H   -2.880900      0.7382000      -2.534000    
 H    3.552100       4.794900       3.088000    
 H    4.131000       4.848300       1.414100    
 H    4.074700       3.303400       2.285800    
 H   -1.354200     -0.4929000     -0.9268000    
 H   -5.354800       1.946000     -0.7391000    
 H   -3.574800      -2.026600       1.625700    
 H   -6.686100      0.7923000      0.9870000    
 H   -5.767100      -1.194000       2.152100    


%chk=000054542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054542

0 1
O -0.039216 -1.961806 -0.356149
O -1.755918 1.560991 -1.113004
O -1.746874 -3.078106 0.824235
N 2.995960 -1.717106 -0.272043
N -2.034993 -0.932108 -0.160463
C 4.099441 -1.412776 -1.221673
C 3.512496 -1.904093 1.107827
C 4.870033 -0.144662 -0.805279
C 4.261919 -0.648179 1.598408
C 5.412871 -0.281370 0.635165
C 2.192367 -2.866034 -0.750116
C 0.865714 -3.086893 -0.024313
C 0.735894 3.110076 -0.476687
C 2.189152 3.039903 0.040600
C 0.506371 2.213888 -1.714612
C 2.444954 3.931639 1.276562
C -0.951177 2.181171 -2.185186
C -1.344238 -2.078312 0.172597
C -3.172781 1.353405 -1.493107
C -3.906519 0.601454 -0.398718
C -3.362620 -0.583305 0.194091
C 3.894702 3.832316 1.799473
C -5.200037 1.022201 -0.018016
C -4.139502 -1.337368 1.112094
C -5.973994 0.280259 0.902132
C -5.437897 -0.904971 1.454054
H 3.660509 -1.276159 -2.228249
H 4.822027 -2.271904 -1.287098
H 2.665180 -2.111373 1.785197
H 4.204485 -2.789335 1.157678
H 5.696583 0.032214 -1.520417
H 4.185326 0.722979 -0.861168
H 3.542614 0.191926 1.653880
H 4.647231 -0.828149 2.620479
H 5.904180 0.656910 0.955751
H 6.184437 -1.078795 0.664461
H 2.766499 -3.829619 -0.673984
H 1.973823 -2.706617 -1.822689
H 0.401372 -4.031587 -0.363729
H 0.976194 -3.145447 1.073324
H 0.480461 4.161425 -0.727943
H 0.040170 2.797916 0.325375
H 2.889415 3.331896 -0.771508
H 2.427414 1.985867 0.294345
H 1.133538 2.570591 -2.557564
H 0.830899 1.177713 -1.489761
H 1.738784 3.645623 2.082314
H 2.214476 4.986394 1.021444
H -1.336739 3.206034 -2.378292
H -1.058249 1.581723 -3.116455
H -3.656503 2.333901 -1.677048
H -3.191773 0.773007 -2.445136
H 4.052845 4.476866 2.683769
H 4.618837 4.141137 1.021563
H 4.139079 2.792603 2.090781
H -1.501224 -0.166901 -0.613287
H -5.610273 1.939411 -0.458664
H -3.717474 -2.249490 1.539564
H -6.976375 0.621319 1.180942
H -6.027479 -1.495294 2.164452


