%chk=000046175.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046175

0 1
 Cl  -5.055600      -1.659000      -1.445600    
 O    2.698400      -3.608000      0.8282000    
 O    3.314800     -0.9021000      0.6552000    
 O    4.336100     -0.8765000      -1.826900    
 N  -0.1308000      -1.347000      3.1300001E-02
 N   -2.776400     -0.2701000      3.4200002E-02
 C   -1.104100      -1.769500       1.045800    
 C  -0.8192000      -1.065900      -1.234700    
 C   -2.148400     -0.6783000       1.294600    
 C   -1.852900      4.9300000E-02  -1.061600    
 C   0.8918000      -2.375100     -0.1582000    
 C    1.703300      -2.621500       1.115900    
 C   -4.019900      0.3717000      5.4299999E-02
 C    2.399000      -1.367900       1.641500    
 C   -5.156800     -0.1622000     -0.5894000    
 C   -4.164900       1.596700      0.7373000    
 C   -6.383600      0.5008000     -0.5508000    
 C   -5.391700       2.259500      0.7758000    
 C   -6.500900       1.711600      0.1317000    
 C    3.536300      0.4483000      0.6101000    
 C    3.861200       1.074700     -0.5895000    
 C    3.430100       1.186900       1.785200    
 C    4.081600       2.451800     -0.6144000    
 C    3.650500       2.564000       1.760100    
 C    3.974900      0.3162000      -1.827500    
 C    3.976200       3.196400      0.5604000    
 C    3.651200      0.9750000      -3.162800    
 H  -0.6338000      -1.954300       2.015600    
 H   -1.607200      -2.696800      0.7402000    
 H   -1.314100      -1.969300      -1.616300    
 H  -9.4800003E-02 -0.7448000      -1.993000    
 H   -1.676800      0.1901000       1.772000    
 H   -2.905600      -1.067300       1.986500    
 H   -2.398600      0.1711000      -2.005300    
 H   -1.350400       1.001500     -0.8485000    
 H    1.579100      -2.077400     -0.9614000    
 H   0.4493000      -3.323600     -0.4934000    
 H    1.082000      -3.057300       1.903600    
 H    1.637500     -0.6230000       1.901600    
 H    2.974700      -1.620600       2.540000    
 H   -3.312500       2.046300       1.242200    
 H    3.195100      -3.772400       1.647900    
 H   -7.257700      8.7499999E-02  -1.047400    
 H   -5.483000       3.203000       1.305900    
 H   -7.455900       2.228100      0.1615000    
 H    3.213700      0.7333000       2.747500    
 H    4.350700       2.970600      -1.530300    
 H    3.577200       3.143100       2.676000    
 H    4.152800       4.267900      0.5422000    
 H    3.293700      0.2107000      -3.859500    
 H    2.852400       1.712900      -3.048800    
 H    4.550600       1.445300      -3.567600    


%chk=000046175-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046175

0 1
Cl -4.293782 0.079070 -2.683019
O 2.763533 -3.447291 1.151386
O 2.898975 -0.548417 0.401330
O 2.443985 -0.282254 -2.308325
N -0.346337 -1.541739 0.378931
N -2.996917 -0.418516 0.153157
C -1.510674 -2.191787 1.020960
C -0.765596 -0.840498 -0.863398
C -2.590495 -1.150118 1.371402
C -1.830077 0.212850 -0.527867
C 0.810583 -2.447309 0.187978
C 1.741288 -2.424012 1.417247
C -4.245283 0.248055 0.155554
C 2.326099 -1.026752 1.667649
C -4.946200 0.584680 -1.043642
C -4.912777 0.579830 1.376526
C -6.189725 1.239380 -1.040201
C -6.172058 1.212623 1.394750
C -6.815082 1.561423 0.186690
C 3.441680 0.725272 0.338020
C 3.820297 1.202432 -0.962938
C 3.679964 1.525076 1.486429
C 4.497345 2.448567 -1.044716
C 4.323568 2.773731 1.360953
C 3.457688 0.470755 -2.226021
C 4.748940 3.237746 0.096035
C 4.333139 0.697637 -3.461741
H -1.184867 -2.695242 1.950994
H -1.964365 -2.967005 0.353263
H -1.190239 -1.550888 -1.614022
H 0.120304 -0.355920 -1.308511
H -2.181153 -0.461204 2.149233
H -3.470736 -1.668823 1.791364
H -2.163921 0.712099 -1.449152
H -1.381109 0.978883 0.145913
H 1.399462 -2.111010 -0.681292
H 0.504791 -3.502237 0.007248
H 1.168830 -2.688526 2.336805
H 1.504977 -0.350459 1.976510
H 3.108171 -1.061603 2.457206
H -4.415898 0.353183 2.324795
H 3.443164 -3.433115 1.871984
H -6.677270 1.467356 -1.992932
H -6.642009 1.448089 2.356209
H -7.788627 2.061452 0.188713
H 3.374054 1.176193 2.476531
H 4.806438 2.819441 -2.027310
H 4.499121 3.379831 2.256830
H 5.257278 4.202098 -0.000312
H 4.093286 -0.077960 -4.205390
H 4.117480 1.683337 -3.917801
H 5.409357 0.665992 -3.218605


