%chk=000188195.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188195

0 1
Cl -3.646996 -0.628276 -2.470372
O -2.933385 0.360482 2.232986
O 7.659153 1.824863 -0.829525
N -0.561502 -0.685257 0.449389
N 2.227080 -1.353572 -0.068397
C -1.921574 -0.138854 0.078814
C -0.182325 -1.842443 -0.431775
C 0.495835 0.376360 0.320546
C 1.171565 -2.415847 0.032247
C 1.846279 -0.190195 0.797985
C -2.328624 0.986513 1.085818
C -2.943595 -1.257616 0.089847
C 3.563866 -1.911494 0.331069
C -3.300088 1.953057 0.439707
C 4.657974 -0.905485 0.072455
C -3.766048 -1.545058 -1.006604
C -3.093228 -2.050698 1.243887
C -2.843741 3.186107 -0.044859
C -4.654962 1.614428 0.322286
C -4.711759 -2.575545 -0.978371
C -4.030952 -3.082858 1.288186
C 4.745012 -0.268819 -1.182897
C 5.602567 -0.616488 1.061298
C -4.841553 -3.346787 0.177788
C -3.741759 4.076270 -0.641106
C -5.549844 2.507079 -0.272800
C 5.761269 0.638883 -1.446267
C 6.640702 0.292609 0.819824
C -5.094424 3.738846 -0.754572
C 6.706662 0.909052 -0.433070
C 8.692865 2.177818 0.119470
H -1.880437 0.348509 -0.935788
H -0.124748 -1.561225 -1.506331
H -0.955507 -2.635670 -0.339174
H 0.214411 1.236465 0.970301
H 0.597139 0.759550 -0.718775
H 1.067481 -2.826365 1.060630
H 1.456666 -3.256019 -0.636204
H 1.782066 -0.456417 1.875539
H 2.630925 0.591219 0.694480
H -1.416756 1.517796 1.462230
H 3.588360 -2.258996 1.387730
H 3.754878 -2.812016 -0.300162
H -2.462041 -1.827765 2.113290
H -3.359873 1.037367 2.797216
H -1.792414 3.455179 0.037252
H -4.998828 0.645700 0.692304
H -5.336954 -2.771501 -1.848577
H -4.134205 -3.681827 2.191449
H 3.993633 -0.491635 -1.944717
H 5.541685 -1.099250 2.036171
H -5.573674 -4.151824 0.214017
H -3.386364 5.033325 -1.019035
H -6.601242 2.239912 -0.366436
H 5.846831 1.141952 -2.406262
H 7.366199 0.501519 1.597107
H -5.791584 4.433036 -1.220350
H 9.290196 2.896881 -0.456143
H 8.253572 2.651316 1.001908
H 9.286116 1.297106 0.381140


%chk=000188195-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188195

0 1
Cl -3.933180 -0.550876 -2.590478
O -2.088704 1.039892 2.021976
O 8.024293 1.742557 -0.384828
N -0.505928 -0.543754 0.155500
N 2.287718 -1.274729 -0.153703
C -1.842570 0.019832 -0.203138
C -0.069140 -1.540927 -0.855512
C 0.574040 0.436363 0.422741
C 1.209138 -2.259405 -0.398628
C 1.854405 -0.290368 0.865761
C -2.169116 1.331974 0.578622
C -2.909409 -1.058499 0.001338
C 3.587438 -1.907888 0.172679
C -3.513658 1.944416 0.195770
C 4.756643 -0.933422 0.079335
C -3.889413 -1.396809 -0.957675
C -2.932584 -1.780862 1.225151
C -3.567358 2.976296 -0.773596
C -4.716916 1.512191 0.809951
C -4.865303 -2.390447 -0.738636
C -3.900864 -2.774502 1.475689
C 4.853404 -0.030781 -1.014322
C 5.787370 -0.927611 1.044675
C -4.872123 -3.081117 0.492933
C -4.801291 3.558071 -1.138660
C -5.950739 2.098120 0.450803
C 5.946778 0.842826 -1.139313
C 6.899730 -0.057851 0.936096
C -5.998074 3.119961 -0.525846
C 6.977124 0.830059 -0.163786
C 9.112301 1.768787 0.593393
H -1.863403 0.331763 -1.276470
H 0.124998 -1.054609 -1.844922
H -0.875356 -2.283503 -0.994416
H 0.258659 1.100040 1.244964
H 0.811029 1.057040 -0.479303
H 0.975273 -2.855093 0.520584
H 1.536974 -2.961086 -1.189051
H 1.659309 -0.789109 1.849341
H 2.661640 0.449905 1.010435
H -1.380086 2.067240 0.310442
H 3.582295 -2.380007 1.189261
H 3.733136 -2.731797 -0.555802
H -2.159250 -1.534087 1.957191
H -2.486428 1.804878 2.511043
H -2.640235 3.324463 -1.246854
H -4.681548 0.711305 1.556112
H -5.599593 -2.618038 -1.516719
H -3.897760 -3.311689 2.430402
H 4.044144 -0.018129 -1.752510
H 5.727240 -1.610079 1.902076
H -5.625977 -3.855184 0.673990
H -4.829668 4.352442 -1.892869
H -6.875350 1.753641 0.927782
H 6.029255 1.542011 -1.977444
H 7.678953 -0.078699 1.704096
H -6.956591 3.572049 -0.804660
H 9.810724 2.535793 0.227318
H 8.744523 2.049996 1.599922
H 9.629082 0.790447 0.649565


