%chk=000043986.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043986

0 1
 Cl  -4.059200       3.777500      -1.664600    
 O   -4.321900      -2.054200      -1.529000    
 N   5.4200001E-02  -1.995300      0.2687000    
 N    4.224800     -0.7861000      4.4700000E-02
 N    5.761400       1.639700     -0.2914000    
 C   -2.750000      -1.021700     -3.8199998E-02
 C   -2.266200      -1.911300       1.138300    
 C   -1.782000      -1.291700      -1.221000    
 C  -0.7736000      -1.745300       1.453800    
 C  -0.3130000      -1.099300     -0.8331000    
 C    1.473200      -1.856700      0.5939000    
 C   -2.899700      0.4761000      0.2665000    
 C   -4.116100      -1.545000     -0.4283000    
 C    2.331500      -2.248500     -0.6102000    
 C    3.832700      -2.142400     -0.3332000    
 C    3.924400      0.1632000      -1.033900    
 C    5.650300     -0.7329000      0.3914000    
 C    4.336000       1.585500     -0.6386000    
 C    6.063100      0.6893000      0.7861000    
 C   -3.357400       1.342200     -0.7231000    
 C   -2.577400      0.9602000       1.531800    
 C   -5.209200      -1.414100      0.5975000    
 C   -3.493500       2.702500     -0.4456000    
 C   -2.713200       2.320600       1.809000    
 C    6.152100       2.996000      8.8200003E-02
 C   -3.171300       3.191800      0.8203000    
 H   -2.845700      -1.740300       2.053500    
 H   -2.440600      -2.968400      0.8860000    
 H   -1.896600      -2.325900      -1.578400    
 H   -2.009300     -0.6546000      -2.084600    
 H  -0.5190000      -2.477000       2.231200    
 H  -0.5454000     -0.7606000       1.871300    
 H   0.2395000      -1.319100      -1.749000    
 H  -0.1200000     -4.9699999E-02 -0.5772000    
 H    1.694400     -0.8314000      0.9156000    
 H    1.727500      -2.520900       1.429600    
 H    2.113800      -1.688600      -1.520300    
 H    2.116600      -3.296700     -0.8613000    
 H    4.078600      -2.834700      0.4824000    
 H    4.387500      -2.484000      -1.217000    
 H    4.429800     -0.1244000      -1.965800    
 H    2.850800      0.2128000      -1.240200    
 H    5.850700      -1.397100       1.240900    
 H    6.270800      -1.077900     -0.4470000    
 H    3.715300       1.930300      0.1998000    
 H    4.136700       2.251200      -1.487300    
 H    7.140600      0.6912000      0.9909000    
 H    5.553200      0.9766000       1.715800    
 H   -3.617900      0.9682000      -1.710000    
 H   -2.262000      0.3326000       2.354500    
 H   -5.011900      -2.059400       1.455800    
 H   -5.340200     -0.3800000      0.9202000    
 H   -6.153400      -1.738400      0.1475000    
 H   -2.472700       2.700800       2.797700    
 H    5.608900       3.352600      0.9708000    
 H    5.967000       3.694000     -0.7358000    
 H    7.225600       3.040900      0.3027000    
 H   -3.274400       4.248800       1.051600    


%chk=000043986-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043986

0 1
Cl -4.506446 3.652783 -1.883843
O -4.670655 -1.975050 -1.452353
N 0.014933 -1.754525 0.146941
N 4.377992 -0.748553 -0.054174
N 6.205329 1.506786 -0.161824
C -2.906880 -1.069118 0.007687
C -2.255709 -1.855915 1.187176
C -1.999443 -1.279952 -1.240913
C -0.762913 -1.515549 1.387022
C -0.527768 -0.928143 -0.962231
C 1.469929 -1.537875 0.373759
C -3.144121 0.435225 0.303853
C -4.329151 -1.655946 -0.283966
C 2.347263 -2.101920 -0.761369
C 3.850862 -2.090410 -0.412617
C 4.350895 0.213232 -1.184367
C 5.750082 -0.834904 0.506947
C 4.838237 1.597128 -0.725611
C 6.235403 0.548296 0.967652
C -3.624194 1.262156 -0.749928
C -2.974094 1.018939 1.586149
C -5.286114 -1.821437 0.889977
C -3.892189 2.619194 -0.507316
C -3.250939 2.386794 1.806468
C 6.753763 2.826154 0.202549
C -3.712579 3.211778 0.756983
H -2.801313 -1.696527 2.135781
H -2.322129 -2.935430 0.951085
H -2.062395 -2.342824 -1.536124
H -2.369863 -0.695068 -2.099251
H -0.352634 -2.163897 2.184467
H -0.651101 -0.456341 1.734558
H 0.059337 -1.128467 -1.875457
H -0.427717 0.166570 -0.736788
H 1.710488 -0.457950 0.532938
H 1.741239 -2.060348 1.312525
H 2.175157 -1.548388 -1.703911
H 2.041748 -3.148316 -0.954307
H 4.018056 -2.749534 0.462821
H 4.423499 -2.537990 -1.267559
H 4.996009 -0.136241 -2.030717
H 3.315886 0.305478 -1.559535
H 5.735561 -1.526875 1.370289
H 6.475817 -1.235555 -0.246332
H 4.110688 2.002576 0.024631
H 4.856278 2.285928 -1.591246
H 7.274895 0.469622 1.338545
H 5.589477 0.892856 1.816350
H -3.803447 0.845247 -1.745527
H -2.619781 0.414146 2.425074
H -5.000927 -2.711472 1.483556
H -5.253195 -0.948722 1.565206
H -6.310157 -1.969737 0.513814
H -3.104845 2.818758 2.802470
H 6.168409 3.344583 1.004942
H 6.768341 3.482088 -0.686613
H 7.793503 2.711839 0.558954
H -3.928178 4.271822 0.916611


