%chk=000194987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194987

0 1
Cl -5.600169 0.105059 2.939519
O 1.627453 -1.629145 -2.053510
O -1.257774 -2.350299 1.491910
O -1.642070 0.476577 -1.359389
N 3.208009 -0.756027 0.158752
N -0.904661 -2.020312 -0.732218
N -5.649599 2.291105 0.796323
C 1.598782 -2.351001 -0.793064
C 1.862430 -1.383891 0.375255
C 3.197046 0.015850 -1.127867
C 2.886720 -0.959546 -2.272829
C 0.201392 -2.999153 -0.759404
C 3.555984 0.130644 1.319413
C 4.973621 0.637248 1.198969
C -1.517391 -1.701772 0.481949
C 5.250335 1.997572 1.398009
C 6.023132 -0.251648 0.918603
C -2.555447 -0.638368 0.478354
C 6.567062 2.461807 1.320847
C 7.335604 0.218083 0.838825
C -2.646383 0.444121 -0.423421
C 7.610839 1.575136 1.041216
C -3.520769 -0.701853 1.498676
C -4.659210 1.304404 0.653042
C -3.671911 1.391130 -0.357206
C -4.540602 0.236737 1.589775
C -7.046327 1.869910 1.090447
C -5.578275 3.493310 -0.073243
C -1.625423 1.535004 -2.348527
H 2.388013 -3.137136 -0.835274
H 1.873784 -1.949924 1.332199
H 1.041279 -0.639330 0.455150
H 2.463496 0.849436 -1.127619
H 4.204620 0.463626 -1.275164
H 2.716138 -0.440701 -3.231293
H 3.678270 -1.722209 -2.384981
H 0.073553 -3.631427 -1.669366
H 0.126254 -3.672549 0.131133
H 2.841799 0.973927 1.449010
H 3.480428 -0.485722 2.248413
H -0.937970 -1.385079 -1.533549
H 4.445234 2.695576 1.616078
H 5.800911 -1.307362 0.755201
H 6.778335 3.517608 1.479779
H 8.146832 -0.474270 0.620616
H 8.634313 1.938183 0.982132
H -3.443162 -1.512156 2.239876
H -3.718397 2.184533 -1.093281
H -7.217569 0.794841 0.914074
H -7.777997 2.415133 0.473300
H -7.267613 2.092230 2.151478
H -6.262199 4.264257 0.323806
H -5.844508 3.297759 -1.124179
H -4.562179 3.924525 -0.034459
H -1.526355 2.508187 -1.859610
H -0.719435 1.284924 -2.919261
H -2.517071 1.476942 -2.979114


%chk=000194987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194987

0 1
Cl -5.716559 0.246760 3.169669
O 1.619533 -1.353599 -1.981373
O -1.647228 -2.556699 1.504272
O -2.016793 0.342205 -1.601380
N 3.383267 -0.596859 0.186160
N -0.791668 -1.786294 -0.519221
N -5.971116 2.206661 0.661699
C 1.667423 -2.141476 -0.724314
C 2.073817 -1.245051 0.459504
C 3.318357 0.203883 -1.060890
C 2.917036 -0.702464 -2.232608
C 0.280021 -2.781692 -0.574356
C 3.878997 0.183595 1.344810
C 5.350801 0.567075 1.220800
C -1.696189 -1.738608 0.522287
C 5.803387 1.840631 1.644106
C 6.296484 -0.363379 0.719032
C -2.766326 -0.677029 0.461456
C 7.175276 2.178806 1.578228
C 7.666109 -0.027715 0.647951
C -2.939130 0.330811 -0.534290
C 8.111796 1.244594 1.079980
C -3.690121 -0.671763 1.536019
C -4.942091 1.250478 0.615634
C -4.001245 1.255430 -0.460687
C -4.726752 0.259498 1.624585
C -7.371554 1.833243 0.950543
C -5.837368 3.446478 -0.113145
C -2.127198 1.374021 -2.632920
H 2.428721 -2.945013 -0.841893
H 2.165749 -1.869405 1.367969
H 1.265596 -0.494250 0.638055
H 2.578843 1.040384 -0.969020
H 4.312346 0.645741 -1.257086
H 2.781802 -0.123424 -3.161514
H 3.698333 -1.477109 -2.386151
H 0.121934 -3.460356 -1.435335
H 0.227193 -3.379679 0.352288
H 3.270447 1.107697 1.519281
H 3.743585 -0.453309 2.242432
H -0.863816 -1.088879 -1.269074
H 5.079680 2.571608 2.026944
H 5.935935 -1.340214 0.377763
H 7.510436 3.168166 1.910175
H 8.387097 -0.756103 0.258815
H 9.175060 1.504748 1.026134
H -3.529654 -1.419246 2.319703
H -4.149200 1.975968 -1.267768
H -7.430206 0.817339 1.361949
H -7.975918 1.865807 0.017961
H -7.820952 2.528164 1.684044
H -6.527852 4.199925 0.306157
H -6.090278 3.324241 -1.192169
H -4.811365 3.843440 -0.032062
H -2.040843 2.386282 -2.194384
H -1.282480 1.188170 -3.312214
H -3.079958 1.282267 -3.188248


