%chk=000207076.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207076

0 1
Cl 0.764393 -4.440305 0.930356
O -4.702595 0.011831 -0.872175
O 1.780336 0.833133 -1.409554
N -2.110589 0.796966 0.054335
C 0.217060 0.736410 0.911571
C 1.347315 1.702343 1.371242
C -0.764572 1.448678 -0.057083
C 0.798679 -0.498363 0.260014
C 2.413135 0.984601 2.227870
C -2.273173 -0.300692 -0.954629
C -3.210666 1.803920 -0.118439
C 0.769683 2.906246 2.125195
C -3.644146 -0.962191 -0.749136
C -4.560170 1.092350 0.071933
C 1.601171 -0.439984 -0.916830
C 1.886890 0.378923 3.526218
C 0.552542 -1.754452 0.812440
C 2.137637 -1.590528 -1.504155
C 1.092697 -2.903097 0.216090
C 1.880633 -2.841094 -0.927447
C 2.621880 1.009600 -2.595384
C 2.599172 2.510432 -2.807783
H -0.367036 0.431214 1.819915
H 1.863224 2.078060 0.447594
H -0.843398 2.520102 0.237417
H -0.353993 1.449776 -1.090308
H 2.891989 0.189517 1.621178
H 3.220849 1.706208 2.462214
H -2.180947 0.057462 -2.002255
H -1.467286 -1.048919 -0.791316
H -3.090796 2.589388 0.657305
H -3.188500 2.305348 -1.109373
H 1.561665 3.595183 2.436056
H 0.231776 2.596167 3.028739
H 0.063108 3.468552 1.502089
H -3.887771 -1.679449 -1.551530
H -3.720033 -1.449247 0.238929
H -5.415142 1.742840 -0.179782
H -4.668464 0.690723 1.094991
H 1.420553 1.135606 4.166902
H 1.137280 -0.397394 3.334791
H 2.697214 -0.084968 4.099769
H -0.065526 -1.848275 1.708488
H 2.750291 -1.538961 -2.398590
H 2.293063 -3.746243 -1.372577
H 3.630929 0.624713 -2.368989
H 2.167681 0.451446 -3.431755
H 2.983815 3.044187 -1.927095
H 1.576588 2.876322 -2.974353
H 3.208057 2.800117 -3.672102


%chk=000207076-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207076

0 1
Cl 0.245206 -4.440596 1.148966
O -4.624678 -0.148337 -1.129133
O 1.789535 0.808178 -1.399527
N -2.095484 0.787136 -0.048301
C 0.207345 0.882671 1.025441
C 1.372402 1.851723 1.439343
C -0.868699 1.602397 0.148442
C 0.691718 -0.410715 0.367587
C 2.512100 1.120499 2.209062
C -2.162318 0.093285 -1.358393
C -3.360790 1.516214 0.214848
C 0.843350 3.057202 2.260324
C -3.362854 -0.865875 -1.386022
C -4.545261 0.535066 0.172362
C 1.474371 -0.441502 -0.830382
C 2.117651 0.517612 3.576853
C 0.332465 -1.651621 0.943592
C 1.882566 -1.669787 -1.405057
C 0.741436 -2.866927 0.360913
C 1.516843 -2.897929 -0.807386
C 2.596328 0.829940 -2.636263
C 2.776376 2.295964 -3.022444
H -0.322284 0.587330 1.953673
H 1.823680 2.242758 0.506948
H -1.158159 2.534388 0.666739
H -0.413847 1.898864 -0.821742
H 2.923139 0.316645 1.568173
H 3.335591 1.847906 2.362166
H -2.260276 0.825487 -2.200906
H -1.233673 -0.482611 -1.513619
H -3.310165 1.980750 1.217951
H -3.539578 2.329115 -0.534590
H 1.688499 3.620035 2.699653
H 0.190498 2.731220 3.092564
H 0.268007 3.766758 1.639378
H -3.484797 -1.326581 -2.380434
H -3.219707 -1.658221 -0.620115
H -5.506497 1.063385 0.287944
H -4.429602 -0.216817 0.983167
H 1.717720 1.285778 4.263505
H 1.354566 -0.274663 3.469580
H 2.997565 0.060297 4.065827
H -0.283284 -1.658638 1.847730
H 2.484071 -1.692537 -2.317531
H 1.831532 -3.847498 -1.249148
H 3.574022 0.341046 -2.446968
H 2.067568 0.267240 -3.433105
H 3.297174 2.850101 -2.222997
H 1.799112 2.776476 -3.199991
H 3.376019 2.371593 -3.947673


