%chk=000013989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013989

0 1
 Cl  -4.762100       2.998700      -1.274500    
 F   -2.416900      -2.849000       1.981700    
 O    2.006500      0.4957000       2.390700    
 N    3.310600     -0.1319000     -0.6680000    
 N    5.873100      -1.475000     -0.4946000    
 N   0.6582000       1.637600      0.8715000    
 N  -0.9053000     -0.7404000       1.930700    
 C    2.160700      0.3926000      -1.401800    
 C    3.420600      -1.586200     -0.8402000    
 C    4.548900      0.5337000      -1.092600    
 C    1.982500       1.898800      -1.186500    
 C    4.631600      -2.131900     -7.9300001E-02
 C    5.753200     -2.4599999E-02 -0.3304000    
 C    1.807700       2.316300      0.2731000    
 C  -0.6450000       1.909800      0.3286000    
 C   0.8875000      0.8091000       1.976200    
 C   -1.703700      0.9785000      0.3626000    
 C  -0.3360000      0.3328000       2.718100    
 C   -1.525500     -0.4236000      0.8446000    
 C  -0.8923000       3.155300     -0.2824000    
 C   -2.975600       1.326200     -0.1277000    
 C   -2.076100      -1.542800      2.6699999E-02
 C   -2.153200       3.485900     -0.7853000    
 C   -3.197800       2.576300     -0.6968000    
 C   -2.497600      -2.710800      0.6504000    
 C   -2.161900      -1.403600      -1.353400    
 C   -3.012800      -3.755200     -0.1173000    
 C   -2.677000      -2.448100      -2.121100    
 C   -3.102400      -3.623900      -1.503100    
 H    2.265700      0.2018000      -2.478200    
 H    1.249300     -0.1278000      -1.083800    
 H    3.504100      -1.849300      -1.903300    
 H    2.519200      -2.075100     -0.4512000    
 H    4.529700       1.605300     -0.8734000    
 H    4.708000      0.4170000      -2.173000    
 H    2.810400       2.465700      -1.626300    
 H    1.113200       2.205500      -1.780000    
 H    4.486900      -2.009000       1.001700    
 H    4.721000      -3.207100     -0.2696000    
 H    6.667600      0.4483000     -0.7056000    
 H    5.677500      0.2258000      0.7356000    
 H    1.699300       3.400700      0.3738000    
 H    2.720100       2.080900      0.8318000    
 H    6.647000      -1.819400      7.2499998E-02
 H  -2.1800000E-02 -6.4499997E-02   3.689700    
 H   -1.034900       1.149200       2.930500    
 H  -0.1336000       3.928600     -0.3508000    
 H   -3.802600      0.6218000     -6.1000001E-02
 H   -2.304900       4.467200      -1.228000    
 H   -1.807500     -0.5178000      -1.872200    
 H   -3.343500      -4.670800      0.3640000    
 H   -2.739300      -2.349300      -3.201000    
 H   -3.501600      -4.438000      -2.101000    


%chk=000013989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013989

0 1
Cl -4.837359 3.073464 -1.279163
F -2.974040 -2.819476 1.766289
O 2.013258 0.753152 2.660507
N 3.377538 -0.049028 -0.810846
N 5.796517 -1.508089 -0.360733
N 0.619855 1.636258 0.993253
N -0.877346 -0.849424 1.878555
C 2.120722 0.425141 -1.426778
C 3.337650 -1.454488 -0.333076
C 4.582956 0.207738 -1.634879
C 1.888077 1.934974 -1.175503
C 4.605121 -1.759759 0.484612
C 5.855061 -0.104482 -0.823763
C 1.802092 2.266150 0.327868
C -0.695060 1.937047 0.509832
C 0.860885 0.884738 2.168340
C -1.713071 0.936331 0.360195
C -0.380132 0.217458 2.777883
C -1.502384 -0.484399 0.778974
C -0.976680 3.266911 0.087815
C -2.970455 1.302860 -0.196901
C -2.032135 -1.567644 -0.108283
C -2.224822 3.622686 -0.451333
C -3.213763 2.625966 -0.584686
C -2.690694 -2.716898 0.395487
C -1.848863 -1.503696 -1.517369
C -3.131434 -3.768128 -0.426398
C -2.276005 -2.546040 -2.365757
C -2.914199 -3.684066 -1.819041
H 2.088514 0.227441 -2.527491
H 1.284133 -0.144410 -0.978422
H 3.273996 -2.180038 -1.182111
H 2.447721 -1.584794 0.309373
H 4.596072 1.270389 -1.941876
H 4.584335 -0.421452 -2.561119
H 2.731056 2.518289 -1.594702
H 0.978006 2.264214 -1.714522
H 4.580781 -1.123121 1.401467
H 4.599437 -2.821251 0.792731
H 6.745145 0.028972 -1.466488
H 5.914554 0.627512 0.019509
H 1.798921 3.360027 0.495922
H 2.686450 1.845926 0.835298
H 6.670095 -1.813055 0.086857
H -0.070209 -0.240030 3.727854
H -1.153800 0.991620 2.973875
H -0.209005 4.038296 0.194024
H -3.744607 0.539717 -0.316760
H -2.426701 4.652999 -0.757387
H -1.351225 -0.625062 -1.942336
H -3.638159 -4.624868 0.027235
H -2.109553 -2.473767 -3.445178
H -3.248044 -4.498812 -2.469757


