%chk=000004748.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004748

0 1
 Cl   2.220300      -4.884100     -0.2752000    
 S    5.090300      0.7149000     -0.3992000    
 O   -8.879200     -0.1118000      -1.104600    
 N   -2.693200     -0.4739000      0.6765000    
 N   -5.318500      0.3041000     -0.2514000    
 N    2.205700      0.2112000      0.6447000    
 C   -3.890500     -0.7072000       1.493300    
 C   -2.880800      0.7002000     -0.1846000    
 C   -5.131600     -0.8705000      0.6091000    
 C   -4.121500      0.5355000      -1.069100    
 C   -1.511300     -0.3144000       1.521500    
 C  -0.2352000     -0.1352000      0.6933000    
 C   -6.501200      0.1463000      -1.095500    
 C    1.045900     -1.1400000E-02   1.517500    
 C   -7.755100      2.2200000E-02 -0.2448000    
 C    2.898000     -0.9333000      0.1742000    
 C    2.504100       1.549600      0.2838000    
 C    4.203400     -0.8295000     -0.3457000    
 C    3.770500       1.899300     -0.2250000    
 C    2.306300      -2.215500      0.1692000    
 C    1.545200       2.581700      0.3809000    
 C    4.882300      -1.966500     -0.8188000    
 C    4.058700       3.226800     -0.5887000    
 C    2.983800      -3.341500     -0.3069000    
 C    1.835200       3.898500      1.3300000E-02
 C    4.274200      -3.217400     -0.7986000    
 C    3.094300       4.221900     -0.4692000    
 H   -4.047900      0.1176000       2.201800    
 H   -3.763900      -1.623800       2.082400    
 H   -2.050600      0.8286000     -0.8845000    
 H   -2.965400       1.619500      0.4102000    
 H   -5.967000      -1.002300       1.302500    
 H   -5.044600      -1.788400      1.2000000E-02
 H   -3.965100     -0.2904000      -1.776400    
 H   -4.247800       1.451300      -1.659500    
 H   -1.625900      0.5396000       2.201800    
 H   -1.388400      -1.208900       2.144900    
 H  -0.1629000     -0.9762000     -5.4000001E-03
 H  -0.3198000      0.7390000      4.9400002E-02
 H   -6.414600     -0.7224000      -1.761900    
 H   -6.617000       1.019200      -1.751300    
 H    1.183100     -0.8985000       2.149800    
 H   0.9482000      0.8016000       2.249800    
 H   -7.900000      0.9095000      0.3806000    
 H   -7.758500     -0.8674000      0.3885000    
 H    1.304300      -2.379300      0.5528000    
 H   0.5497000       2.422300      0.7799000    
 H    5.895000      -1.888900      -1.209400    
 H    5.040500       3.500000     -0.9702000    
 H   -9.667500     -0.1716000     -0.5384000    
 H    1.076300       4.669100      0.1137000    
 H    4.818800      -4.081000      -1.170200    
 H    3.326000       5.244000     -0.7524000    


%chk=000004748-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004748

0 1
Cl 2.083582 -4.831196 -0.748494
S 5.357925 0.641056 0.079704
O -9.157560 -0.256977 -0.962062
N -2.750672 -0.324920 0.645306
N -5.489973 -0.006082 -0.278954
N 2.310422 0.213235 0.691888
C -3.904982 -0.489225 1.565830
C -3.094906 0.626587 -0.441949
C -5.144041 -0.970217 0.795055
C -4.340894 0.146804 -1.204926
C -1.514903 0.037182 1.374679
C -0.245850 -0.047226 0.499732
C -6.757706 -0.336475 -0.973218
C 1.024432 -0.012307 1.393948
C -7.977458 0.151402 -0.179619
C 2.981705 -0.907734 0.125725
C 2.695071 1.562380 0.411012
C 4.346522 -0.839512 -0.284532
C 4.027117 1.900233 0.035015
C 2.311207 -2.153421 -0.040010
C 1.758619 2.630962 0.512734
C 4.989557 -1.945970 -0.870665
C 4.391475 3.226228 -0.268562
C 2.993289 -3.255001 -0.585587
C 2.135252 3.966139 0.250685
C 4.324909 -3.185160 -1.021993
C 3.449965 4.274224 -0.154160
H -4.156460 0.470935 2.084604
H -3.637668 -1.237071 2.336170
H -2.248968 0.693459 -1.148743
H -3.293239 1.651430 -0.034685
H -5.994307 -1.060056 1.495239
H -4.934972 -1.986535 0.374704
H -4.093619 -0.815412 -1.720375
H -4.603931 0.892854 -1.977328
H -1.583409 1.063324 1.829225
H -1.413153 -0.675662 2.218221
H -0.294943 -0.978623 -0.091845
H -0.209344 0.784302 -0.226421
H -6.867420 -1.430272 -1.168417
H -6.767961 0.170070 -1.955379
H 1.107811 -0.959214 1.958270
H 0.917849 0.788370 2.149604
H -7.922462 1.253286 -0.065989
H -7.998856 -0.307691 0.831627
H 1.265156 -2.273131 0.240983
H 0.723364 2.431405 0.796784
H 6.032380 -1.850290 -1.190477
H 5.422268 3.439146 -0.571873
H -9.978285 0.068246 -0.515073
H 1.387992 4.760400 0.353098
H 4.830385 -4.051228 -1.455073
H 3.744786 5.305152 -0.372931


