%chk=000094324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094324

1 1
 Cl  -7.098400      -3.258200     -0.5429000    
 N    3.169700      -1.157000      0.4668000    
 N   -5.391300      0.3688000     -0.3062000    
 C    3.412900      0.6954000     -0.9633000    
 C    4.732800      0.2980000     -0.3706000    
 C    2.494300     -0.3617000     -0.3100000    
 C    4.533300     -0.7974000      0.4640000    
 C    3.013500       2.110100     -0.5367000    
 C    3.419900      0.5511000      -2.487100    
 C    5.996100      0.8396000     -0.5414000    
 C    1.052900     -0.4096000     -0.5738000    
 C    5.578200      -1.390000       1.154400    
 C    2.719100      -2.294700       1.284000    
 C    7.063200      0.2567000      0.1460000    
 C    6.855600     -0.8493000      0.9869000    
 C   0.2399000      0.2871000      0.2275000    
 C   -1.227400      0.3314000      9.7999997E-02
 C   -1.941400       1.446100      0.5100000    
 C   -3.987600      0.3562000     -0.1701000    
 C   -1.868700     -0.7715000     -0.4457000    
 C   -3.329700       1.458900      0.3752000    
 C   -3.256900     -0.7588000     -0.5807000    
 C   -6.082800     -0.7663000     -0.8843000    
 C   -6.159500       1.522600      0.1175000    
 C   -1.269800       2.644100       1.100800    
 C   -6.266800      -1.852400      0.1643000    
 C   -6.401100       1.500800       1.617200    
 H    2.944200       2.198800      0.5542000    
 H    3.743300       2.851800     -0.8810000    
 H    2.039200       2.392200     -0.9509000    
 H    3.663400     -0.4735000      -2.793100    
 H    2.438700      0.7910000      -2.911900    
 H    4.155600       1.218600      -2.949900    
 H    6.160500       1.693200      -1.190000    
 H   0.7260000     -0.9898000      -1.427500    
 H    5.436300      -2.243800       1.807500    
 H    2.928900      -2.080100       2.335800    
 H    3.242100      -3.197200      0.9549000    
 H    1.643400      -2.437400       1.153400    
 H    8.064900      0.6616000      2.9999999E-02
 H    7.699500      -1.288100       1.512600    
 H   0.6669000      0.8504000       1.053600    
 H   -1.336600      -1.665600     -0.7580000    
 H   -3.855200       2.346300      0.7104000    
 H   -3.706500      -1.647300      -1.010000    
 H   -5.584700      -1.136600      -1.788500    
 H   -7.075400     -0.4560000      -1.237400    
 H   -5.709300       2.468100     -0.2055000    
 H   -7.141300       1.519500     -0.3735000    
 H  -0.4768000       3.012700      0.4414000    
 H   -1.969700       3.475100       1.243200    
 H  -0.8484000       2.402200       2.082000    
 H   -5.323300      -2.210600      0.5830000    
 H   -6.884500      -1.500500      0.9952000    
 H   -6.992200      0.6274000       1.909200    
 H   -5.473600       1.478000       2.196000    
 H   -6.961100       2.392400       1.917900    


%chk=000094324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094324

1 1
Cl -6.923254 -1.678177 -3.221790
N 3.327870 -0.016250 0.948576
N -5.457757 0.747714 -0.190968
C 3.510740 -0.008918 -1.423522
C 4.886576 -0.059602 -0.765418
C 2.572455 0.044308 -0.197082
C 4.732680 -0.053760 0.640600
C 3.343789 1.267131 -2.302601
C 3.238615 -1.290202 -2.271288
C 6.171373 -0.107078 -1.326351
C 1.164463 0.130836 -0.333660
C 5.825878 -0.082168 1.525196
C 2.830998 -0.123018 2.328188
C 7.291823 -0.142574 -0.456988
C 7.118335 -0.128148 0.948602
C 0.192381 0.447333 0.629781
C -1.227191 0.508586 0.423374
C -2.106184 0.971003 1.481146
C -4.091488 0.647510 0.012561
C -1.839282 0.112183 -0.815426
C -3.486843 1.028886 1.261468
C -3.210980 0.166059 -1.024395
C -6.075037 0.308462 -1.466481
C -6.371817 1.246921 0.874502
C -1.562285 1.402570 2.832884
C -6.277197 -1.220094 -1.517317
C -6.759143 0.183359 1.926398
H 3.529498 2.185596 -1.719930
H 4.065038 1.238054 -3.137623
H 2.327768 1.323658 -2.731398
H 3.339048 -2.206596 -1.664854
H 2.226774 -1.268253 -2.713631
H 3.966697 -1.344524 -3.099200
H 6.316881 -0.115337 -2.411776
H 0.827020 -0.017662 -1.365164
H 5.709704 -0.058835 2.612746
H 2.594505 0.869643 2.751870
H 3.602332 -0.597132 2.953164
H 1.930522 -0.758374 2.352437
H 8.302676 -0.177474 -0.874866
H 7.995997 -0.148963 1.602249
H 0.531918 0.725839 1.631710
H -1.213579 -0.263646 -1.631253
H -4.117548 1.377479 2.082465
H -3.607910 -0.159980 -1.988540
H -5.460430 0.633403 -2.323771
H -7.052158 0.807598 -1.572670
H -5.905911 2.122147 1.361888
H -7.281693 1.620399 0.374109
H -0.867086 2.257902 2.741115
H -2.378176 1.715577 3.503665
H -1.019735 0.581997 3.339378
H -5.336857 -1.775110 -1.386463
H -7.031833 -1.571144 -0.799492
H -7.318236 -0.651496 1.469459
H -5.872231 -0.235123 2.432747
H -7.408213 0.640285 2.694541


