%chk=000106408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106408

1 1
Cl 0.530240 -2.683629 -0.166087
N -0.808851 0.085621 0.683193
N 4.622551 0.250753 -0.310965
N 5.739361 0.304260 -0.368064
C -1.583396 -1.097916 1.171228
C -1.594756 1.366269 0.719198
C -2.437798 -1.725667 0.061972
C -2.183616 1.698766 -0.658284
C 0.445915 0.057101 0.200524
C -2.906111 -3.131077 0.468640
C -2.936245 3.037105 -0.614259
C 1.252990 -1.143090 -0.005533
C 1.133503 1.312931 -0.087612
C -3.792502 -3.750447 -0.606254
C -3.529992 3.380834 -1.975901
C 2.608318 -1.082769 -0.168950
C 2.479252 1.386023 -0.258341
C 3.278444 0.187814 -0.229685
H -0.908708 -1.833104 1.663716
H -2.249322 -0.748675 2.001365
H -2.414048 1.260888 1.471239
H -0.952522 2.197456 1.094853
H -1.887996 -1.778876 -0.898433
H -3.320289 -1.085416 -0.146105
H -2.874845 0.895059 -0.987956
H -1.392304 1.739420 -1.432678
H -3.461757 -3.088027 1.427387
H -2.031232 -3.787286 0.652194
H -2.258157 3.851253 -0.288978
H -3.746680 2.996481 0.142241
H 0.540201 2.232699 -0.150602
H -3.271865 -3.851212 -1.565920
H -4.121287 -4.757444 -0.314011
H -4.700108 -3.160908 -0.784536
H -4.249321 2.625752 -2.316346
H -4.069389 4.337851 -1.940335
H -2.762226 3.476935 -2.752533
H 3.198970 -2.001701 -0.283118
H 2.973580 2.349973 -0.424367


%chk=000106408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106408

1 1
Cl 0.829225 -2.739293 -0.495267
N -0.794355 -0.068689 0.572090
N 4.668870 0.617242 -0.449005
N 5.818524 0.767528 -0.606125
C -1.466538 -1.318464 1.056035
C -1.685104 1.139482 0.597504
C -2.507198 -1.901172 0.073271
C -1.993482 1.715399 -0.804804
C 0.522370 0.044557 0.223613
C -3.167275 -3.173787 0.657035
C -2.939228 2.937061 -0.715762
C 1.416131 -1.057488 -0.129535
C 1.138378 1.366216 0.193697
C -4.233586 -3.763080 -0.290349
C -3.278782 3.511490 -2.107776
C 2.773987 -0.872895 -0.344727
C 2.488691 1.575397 -0.013836
C 3.336727 0.443688 -0.260540
H -0.710596 -2.072953 1.312587
H -1.972696 -1.036869 2.000446
H -2.628627 0.820756 1.069665
H -1.255256 1.914414 1.261084
H -2.017093 -2.142678 -0.888408
H -3.293308 -1.149881 -0.139815
H -2.460802 0.926289 -1.424208
H -1.059982 2.010430 -1.322756
H -3.632794 -2.936559 1.635111
H -2.386713 -3.935272 0.855938
H -2.472206 3.726679 -0.092411
H -3.875450 2.644158 -0.199595
H 0.519353 2.240310 0.395834
H -3.794552 -4.038043 -1.267046
H -4.685978 -4.672670 0.141778
H -5.048726 -3.039645 -0.476603
H -3.780908 2.756947 -2.740596
H -3.954814 4.379793 -2.021768
H -2.368091 3.845942 -2.638271
H 3.402292 -1.725211 -0.618208
H 2.907595 2.584870 0.023619


