%chk=000006762.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006762

0 1
 Cl -0.3936000       3.689700      0.7852000    
 S    5.356600       1.709100     -0.8322000    
 O   -7.135300      0.2331000     -0.6797000    
 O   -8.183500      0.8582000       1.281900    
 N   -1.065300      -1.894900      0.2019000    
 N   -3.894700      -1.453000     -0.1958000    
 N    2.932100     -0.1443000     -0.2394000    
 C   -1.822000     -0.9766000       1.061800    
 C   -1.939300      -2.959700     -0.3056000    
 C   -3.020500     -0.3876000      0.3097000    
 C   -3.138400      -2.370800      -1.056500    
 C   7.5499997E-02  -2.458200      0.9211000    
 C    1.255900      -1.483500      0.9759000    
 C   -5.036800     -0.8905000     -0.9137000    
 C    1.770200      -1.029900     -0.3899000    
 C   -6.053200     -0.3166000      6.0400002E-02
 C    2.682700       1.247400     -0.1327000    
 C    4.209100     -0.7530000     -0.1441000    
 C    3.708200       2.187900     -0.3542000    
 C    5.385700     -1.0700000E-02 -0.3671000    
 C    1.416500       1.754300      0.2330000    
 C    4.365600      -2.110700      0.2109000    
 C    3.457400       3.566800     -0.2388000    
 C    6.650100     -0.6175000     -0.2637000    
 C    1.174000       3.125700      0.3513000    
 C    5.624900      -2.707600      0.3173000    
 C    2.194900       4.033000      0.1122000    
 C    6.768200      -1.960900      7.6700002E-02
 C   -8.139700      0.7927000      6.0899999E-02
 C   -9.205100       1.328300     -0.8470000    
 H   -2.176900      -1.490000       1.966100    
 H   -1.193300     -0.1434000       1.391000    
 H   -1.382700      -3.598700      -1.002000    
 H   -2.292900      -3.598900      0.5149000    
 H   -3.552000      0.2605000       1.013500    
 H   -2.660700      0.2484000     -0.5108000    
 H   -2.792000      -1.858600      -1.964500    
 H   -3.782500      -3.199800      -1.374200    
 H  -0.2006000      -2.779300       1.933800    
 H   0.4369000      -3.357400      0.4040000    
 H   0.9819000     -0.6245000       1.596500    
 H    2.043700      -1.968600       1.560200    
 H   -5.548800      -1.672800      -1.490600    
 H   -4.732800     -0.1353000      -1.650700    
 H    2.023400      -1.902200      -1.007700    
 H   0.9779000     -0.5392000     -0.9697000    
 H   -5.621700      0.4824000      0.6713000    
 H   -6.429700      -1.106100      0.7227000    
 H   0.5757000       1.095600      0.4184000    
 H    3.523400      -2.770900      0.3851000    
 H    4.246100       4.294100     -0.4214000    
 H    7.558900     -4.7899999E-02 -0.4477000    
 H    5.706500      -3.758000      0.5812000    
 H    2.025700       5.103100      0.1957000    
 H    7.748600      -2.420600      0.1543000    
 H   -8.785100       2.101700      -1.494900    
 H   -10.00400       1.772700     -0.2464000    
 H   -9.628000      0.5150000      -1.442000    


%chk=000006762-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006762

0 1
Cl -0.938603 3.074991 0.077608
S 5.220728 1.696824 -1.133522
O -7.155904 0.472005 -0.542565
O -8.269292 0.676046 1.494485
N -1.047187 -1.927586 0.219010
N -3.820802 -1.214785 -0.290080
N 2.996525 -0.386042 -0.351396
C -1.833372 -1.124569 1.194004
C -1.954385 -2.822096 -0.548413
C -2.921499 -0.312251 0.474861
C -3.034421 -2.001318 -1.271363
C 0.077298 -2.661253 0.858533
C 1.330434 -1.775062 1.030348
C -4.973352 -0.508129 -0.897374
C 1.942874 -1.430005 -0.353846
C -6.069441 -0.279795 0.150616
C 2.583842 0.976191 -0.369584
C 4.341542 -0.782093 -0.065844
C 3.505448 2.041663 -0.600733
C 5.449608 0.084328 -0.294636
C 1.215553 1.326140 -0.167018
C 4.632353 -2.078180 0.448665
C 3.094456 3.386766 -0.558042
C 6.767090 -0.307340 0.012272
C 0.831808 2.678320 -0.173736
C 5.956750 -2.486331 0.716700
C 1.739435 3.733205 -0.347837
C 7.035136 -1.602018 0.511340
C -8.217557 0.899513 0.264353
C -9.243329 1.644138 -0.562985
H -2.317498 -1.785187 1.956011
H -1.156821 -0.430531 1.725578
H -1.356595 -3.378109 -1.294539
H -2.459330 -3.564410 0.118597
H -3.508984 0.241768 1.228666
H -2.434455 0.438471 -0.194784
H -2.538202 -1.343009 -2.028488
H -3.716537 -2.687848 -1.806355
H -0.221567 -3.087658 1.847089
H 0.335250 -3.523076 0.210312
H 1.070109 -0.847172 1.571657
H 2.064577 -2.303105 1.666945
H -5.386695 -1.136075 -1.707473
H -4.686718 0.469656 -1.353898
H 2.370921 -2.340680 -0.810780
H 1.125399 -1.100408 -1.018477
H -5.721714 0.315437 1.013296
H -6.470555 -1.236136 0.527911
H 0.453027 0.558976 -0.021716
H 3.823777 -2.783500 0.647955
H 3.835316 4.177120 -0.717148
H 7.586310 0.398633 -0.162282
H 6.135641 -3.496940 1.099448
H 1.415076 4.776050 -0.333588
H 8.063388 -1.906636 0.729251
H -8.777044 2.517512 -1.050917
H -10.068953 1.975648 0.082703
H -9.633657 0.991428 -1.362893


