%chk=000127887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127887

0 1
 Cl   7.266200     -0.1532000       1.259700    
 F   -7.636900      -1.421600       1.559600    
 O    2.928600       2.723700      0.2748000    
 O    1.863700     -0.9132000     -0.9328000    
 N   -2.311500       1.058800     -0.7513000    
 N    1.184300       1.199800      0.3863000    
 N    6.245900      -2.671900     -0.1103000    
 C   0.1174000       2.171600      0.4740000    
 C   -1.052500       1.633600       1.301200    
 C  -0.3689000       2.584600     -0.9171000    
 C   -1.845200      0.5598000      0.5493000    
 C   -1.184900       1.479300      -1.595000    
 C   -3.110400      4.1000001E-02  -1.433600    
 C   -4.323000     -0.3509000     -0.6319000    
 C    2.518000       1.566300      0.2928000    
 C    3.491200      0.4492000      0.1834000    
 C   -4.232700      -1.396300      0.2762000    
 C   -5.513400      0.3389000     -0.8126000    
 C    3.114600     -0.7319000     -0.4231000    
 C   -5.356200      -1.759500       1.018900    
 C   -6.636900     -2.4300000E-02 -6.9899999E-02
 C    4.757500      0.6371000      0.7013000    
 C   -6.558300      -1.073500      0.8458000    
 C    4.042700      -1.768900     -0.5163000    
 C    5.685400     -0.4001000      0.6081000    
 C    5.328000      -1.603100     -6.9999998E-04
 C    1.587300      -2.175000      -1.537000    
 H   0.5209000       3.058000      0.9786000    
 H   -1.725500       2.465000       1.550100    
 H  -0.6904000       1.222500       2.251400    
 H   0.4782000       2.856200      -1.558300    
 H  -0.9957000       3.481300     -0.8242000    
 H   -1.241700     -0.3497000      0.4369000    
 H   -2.679100      0.3304000       1.217600    
 H   -1.562500       1.873900      -2.546200    
 H  -0.5345000      0.6281000      -1.834400    
 H   -2.512200     -0.8536000      -1.657700    
 H   -3.447700      0.4217000      -2.407200    
 H   0.9288000      0.2178000      0.3822000    
 H   -3.308300      -1.950900      0.4110000    
 H   -5.585300       1.158900      -1.521500    
 H   -5.296200      -2.578400       1.729600    
 H   -7.572700      0.5102000     -0.2037000    
 H    5.034500       1.572300       1.181100    
 H    3.823000      -2.726000     -0.9782000    
 H    7.181800      -2.568300      0.2590000    
 H    5.970100      -3.537700     -0.5541000    
 H    2.211700      -2.346400      -2.420500    
 H   0.5493000      -2.142300      -1.884900    
 H    1.651300      -2.993500     -0.8119000    


%chk=000127887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127887

0 1
Cl 7.559211 0.717845 -0.793939
F -8.326405 -1.025995 0.726983
O 2.749905 2.735101 0.112026
O 2.031200 -1.466957 0.297259
N -2.314490 0.966162 -0.689629
N 1.169529 1.074865 0.481325
N 6.798544 -2.222594 -0.629743
C 0.073198 2.040701 0.697102
C -1.090324 1.357907 1.449825
C -0.449568 2.622952 -0.644565
C -1.837898 0.336380 0.565275
C -1.192652 1.557276 -1.468578
C -3.142744 0.048055 -1.503498
C -4.500722 -0.253125 -0.874586
C 2.452193 1.494253 0.198984
C 3.506958 0.433715 0.000753
C -5.094091 -1.532170 -1.011242
C -5.212566 0.762574 -0.186373
C 3.335257 -0.985155 0.041178
C -6.377249 -1.803029 -0.482622
C -6.492368 0.514830 0.354607
C 4.815825 0.915143 -0.258445
C -7.046005 -0.767136 0.189648
C 4.417265 -1.865690 -0.166420
C 5.884409 0.045812 -0.463123
C 5.727112 -1.369234 -0.424666
C 1.805513 -2.913204 0.342799
H 0.486757 2.871933 1.297540
H -1.807430 2.140040 1.759704
H -0.716724 0.860081 2.364975
H 0.401589 3.030771 -1.217449
H -1.141878 3.456851 -0.420061
H -1.172920 -0.544019 0.342038
H -2.710713 -0.060921 1.113785
H -1.610659 2.014707 -2.384874
H -0.464859 0.768289 -1.791410
H -2.615943 -0.918418 -1.718685
H -3.301366 0.539670 -2.484796
H 0.998320 0.064538 0.530513
H -4.552271 -2.328699 -1.535537
H -4.737475 1.742673 -0.072845
H -6.847196 -2.785957 -0.581060
H -7.052419 1.288059 0.888920
H 4.939446 2.002768 -0.288968
H 4.272886 -2.949596 -0.133001
H 7.721596 -1.833463 -0.810209
H 6.681682 -3.230556 -0.600639
H 2.048297 -3.384184 -0.628487
H 0.732290 -3.030479 0.554492
H 2.397756 -3.383572 1.150221


