%chk=000017006.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017006

0 1
 Cl  0.2089000      -4.831000       1.062300    
 O    1.067400      -1.590700     -0.8330000    
 O    4.873500      -1.117500      0.5163000    
 O    3.279700      -2.445200     -0.2023000    
 O   0.3460000      -1.843200       1.372900    
 O    2.180100       4.470100      0.3674000    
 O    4.126500       3.611200      0.9082000    
 N    3.707000      -1.305200      9.6799999E-02
 N    2.949000       3.486600      0.4933000    
 C  -0.7041000      0.6051000      -1.132100    
 C   -1.765500       1.070100     -0.1122000    
 C   -3.202000      0.8390000     -0.5967000    
 C   -4.219400       1.226900      0.4799000    
 C   0.7210000      0.7613000     -0.6300000    
 C   -5.653200       1.023500     -1.5100000E-02
 C  -0.8917000       1.351600      -2.458400    
 C    1.533500     -0.3499000     -0.5071000    
 C   -6.711800       1.375000       1.032400    
 C    1.166000       2.029800     -0.3072000    
 C    2.839200     -0.1871000     -4.4000000E-02
 C    2.471600       2.192500      0.1558000    
 C    3.308200       1.084100      0.2874000    
 C   -8.138900       1.198200      0.5371000    
 C   0.4630000      -2.280400      0.2356000    
 C  -1.2300000E-02  -3.638200     -0.2466000    
 C   -1.460900      -3.611400     -0.7422000    
 C   -2.480800      -3.125300      0.2816000    
 H  -0.9113000     -0.4480000      -1.350400    
 H   -1.640000       2.134600      0.1218000    
 H   -1.612200      0.5273000      0.8298000    
 H   -3.337400     -0.2137000     -0.8708000    
 H   -3.403000       1.439600      -1.490200    
 H   -4.076300       2.276200      0.7644000    
 H   -4.052800      0.6212000       1.378800    
 H   -5.817100       1.637300     -0.9096000    
 H   -5.786600     -2.1900000E-02 -0.3202000    
 H   -1.816000       1.050400      -2.961500    
 H  -7.2099999E-02   1.127000      -3.151500    
 H  -0.9210000       2.438100      -2.321400    
 H   -6.575400       2.415500       1.350800    
 H   -6.564900      0.7493000       1.920700    
 H   0.5039000       2.883700     -0.4176000    
 H    4.325600       1.214200      0.6488000    
 H   -8.850800       1.462500       1.325100    
 H   -8.324000      0.1600000      0.2438000    
 H   -8.333700       1.839600     -0.3283000    
 H   0.6472000      -3.972400      -1.054500    
 H   -1.521400      -2.952500      -1.617400    
 H   -1.750100      -4.612100      -1.085800    
 H   -2.506000      -3.769600       1.165100    
 H   -3.482300      -3.131800     -0.1613000    
 H   -2.272100      -2.102000      0.6054000    


%chk=000017006-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017006

0 1
Cl -0.956159 -4.593186 1.679820
O 0.780149 -1.611075 -0.483935
O 4.726013 -1.250042 0.667305
O 2.820098 -2.426687 1.076151
O -0.314164 -1.598028 1.595963
O 2.462003 4.548200 -0.335275
O 4.344794 3.601620 0.540567
N 3.443362 -1.366800 0.683189
N 3.153115 3.531818 0.055844
C -0.820428 0.703101 -1.250478
C -1.830655 1.202560 -0.167332
C -3.312459 0.954324 -0.527567
C -4.271126 1.356241 0.616910
C 0.601465 0.819174 -0.707241
C -5.759315 1.117249 0.276317
C -0.979182 1.447056 -2.601262
C 1.329054 -0.325550 -0.282581
C -6.718019 1.521691 1.419581
C 1.224100 2.081715 -0.579290
C 2.647700 -0.192789 0.239386
C 2.529176 2.185649 -0.062586
C 3.267907 1.063791 0.344658
C -8.203035 1.277938 1.074587
C 0.078067 -2.238608 0.620235
C -0.032207 -3.722721 0.292073
C -0.692312 -4.025721 -1.068927
C -2.140379 -3.516524 -1.210080
H -1.027159 -0.368743 -1.429836
H -1.669415 2.287507 0.004180
H -1.604122 0.693097 0.790023
H -3.458812 -0.121513 -0.763316
H -3.587116 1.517945 -1.441440
H -4.119213 2.428270 0.862199
H -4.007666 0.786947 1.532049
H -6.024373 1.685178 -0.640298
H -5.913623 0.044865 0.033595
H -1.976675 1.252864 -3.030518
H -0.225028 1.111453 -3.335584
H -0.877678 2.541920 -2.481869
H -6.564250 2.593124 1.661860
H -6.451867 0.955012 2.335024
H 0.705814 2.995821 -0.880674
H 4.286315 1.159959 0.728348
H -8.866366 1.575185 1.907451
H -8.389658 0.208726 0.859532
H -8.503116 1.856745 0.180536
H 0.989497 -4.136233 0.332955
H -0.048722 -3.573702 -1.847958
H -0.659483 -5.120713 -1.213917
H -2.793799 -3.964278 -0.441722
H -2.541706 -3.784961 -2.203013
H -2.199139 -2.416472 -1.109543


