%chk=000040589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040589

0 1
 Cl   7.553400      -1.693900      -1.278800    
 O   -5.313600       1.886800     -6.8000001E-03
 N   0.2210000      0.8227000     -0.7526000    
 N    2.973700      0.3605000     -0.1459000    
 N   -3.229500      0.8589000      0.3651000    
 N   -5.009200     -0.4300000      0.1545000    
 N   -2.800800     -0.4359000      0.4954000    
 C   0.9478000     -0.2793000      -1.395200    
 C    1.130100       1.951200     -0.5189000    
 C    2.102500     -0.7624000     -0.5148000    
 C    2.292100       1.542600      0.3901000    
 C  -0.9125000       1.239300      -1.577500    
 C   -1.730800       2.347300     -0.9081000    
 C   -2.316900       1.966100      0.4499000    
 C    4.282900      7.2700001E-02  0.2554000    
 C   -4.615700      0.8950000      0.1500000    
 C   -3.884000      -1.144800      0.3661000    
 C    5.177200     -0.5935000     -0.6063000    
 C    4.746900      0.4417000       1.533900    
 C   -6.362600     -0.9177000     -3.2800000E-02
 C   -3.907700      -2.634600      0.4337000    
 C    6.482500     -0.8791000     -0.2058000    
 C    6.052200      0.1560000       1.934400    
 C    6.919900     -0.5044000       1.064500    
 C   -7.093300      -1.032600       1.294200    
 C   -3.705400      -3.232400     -0.9436000    
 H   0.2711000      -1.125600      -1.565700    
 H    1.337400      3.0700000E-02  -2.374200    
 H    1.523800       2.338100      -1.468500    
 H   0.6346000       2.779500     -4.9000001E-03
 H    2.650000      -1.536500      -1.064800    
 H    1.711200      -1.229900      0.3982000    
 H    1.914600       1.329600       1.398600    
 H    2.985200       2.390400      0.4591000    
 H  -0.5690000       1.601200      -2.556100    
 H   -1.565100      0.3820000      -1.781200    
 H   -1.166300       3.281300     -0.8232000    
 H   -2.563400       2.585200      -1.584700    
 H   -2.875400       2.825600      0.8384000    
 H   -1.535400       1.726500       1.178600    
 H    4.848300     -0.8780000      -1.604400    
 H    4.096100      0.9461000       2.243700    
 H   -6.896700     -0.2112000     -0.6773000    
 H   -6.342900      -1.889800     -0.5324000    
 H   -4.847100      -2.992600      0.8627000    
 H   -3.099200      -2.964900       1.095600    
 H    6.392200      0.4449000       2.924500    
 H    7.933900     -0.7211000       1.390500    
 H   -6.583800      -1.724200       1.972400    
 H   -7.150700     -6.0199998E-02   1.794700    
 H   -8.113300      -1.396200       1.136700    
 H   -4.493100      -2.922300      -1.637300    
 H   -2.747900      -2.915700      -1.371400    
 H   -3.708800      -4.325400     -0.8893000    


%chk=000040589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040589

0 1
Cl 6.820180 -3.168059 0.316076
O -5.379116 1.747156 0.709700
N 0.351855 1.156106 -0.775204
N 3.060386 0.473653 -0.026619
N -3.255798 0.670017 0.317675
N -5.065397 -0.589590 0.176315
N -2.807304 -0.641811 0.014027
C 0.862410 -0.215887 -0.990195
C 1.445830 2.137433 -0.922390
C 1.966975 -0.527878 0.032313
C 2.576309 1.864122 0.087895
C -0.861889 1.486948 -1.562425
C -1.811970 2.422614 -0.780250
C -2.322061 1.779850 0.528695
C 4.362142 0.143808 0.407655
C -4.649845 0.751535 0.435911
C -3.931427 -1.373277 -0.060304
C 4.886074 -1.173522 0.206564
C 5.221582 1.108837 1.022591
C -6.473599 -0.997202 0.293245
C -3.949692 -2.833706 -0.409144
C 6.196573 -1.467823 0.605294
C 6.538098 0.772334 1.397697
C 7.058414 -0.526904 1.200470
C -6.849983 -1.423079 1.728088
C -4.333873 -3.108370 -1.888852
H 0.027084 -0.923795 -0.844246
H 1.273297 -0.352500 -2.022817
H 1.876196 2.114220 -1.956769
H 1.053100 3.155449 -0.743699
H 2.363927 -1.535186 -0.163607
H 1.515104 -0.530457 1.049803
H 2.206350 2.076801 1.117381
H 3.406180 2.556730 -0.133443
H -0.602442 1.950955 -2.544466
H -1.395352 0.544493 -1.778666
H -1.283462 3.359656 -0.514349
H -2.670054 2.707912 -1.419310
H -2.863952 2.525230 1.136932
H -1.455076 1.398904 1.096380
H 4.294919 -1.949936 -0.283611
H 4.860086 2.117676 1.236070
H -7.078150 -0.122171 -0.005417
H -6.669312 -1.811305 -0.426240
H -4.643701 -3.373102 0.263803
H -2.937217 -3.227639 -0.213454
H 7.169225 1.533280 1.870426
H 8.074472 -0.794311 1.499558
H -6.250728 -2.288182 2.064579
H -6.684879 -0.587962 2.429783
H -7.917662 -1.704247 1.771486
H -5.343873 -2.729235 -2.127423
H -3.618381 -2.617278 -2.570979
H -4.320074 -4.193606 -2.094135


