%chk=000257731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257731

0 1
Cl -6.000691 2.572551 1.453388
O -6.107265 -0.192303 -1.380146
O -6.468195 -0.311179 0.887420
O 4.988305 -2.488706 0.162941
N -0.085959 0.106874 0.795725
N 6.655202 1.203480 0.074068
N 6.795112 -1.149495 0.580980
N 8.599095 0.299720 1.162961
C -5.718220 0.403726 -0.116270
C -4.237572 0.280880 0.106868
C -6.623612 -1.524228 -1.141686
C -6.806052 -1.623731 0.379959
C -6.256923 1.837187 -0.144048
C 2.309566 -0.083748 0.242749
C 0.876921 -0.337363 -0.248688
C -3.726452 0.273617 1.415114
C -3.361180 0.186754 -0.981414
C 3.329468 -0.410288 -0.858718
C -1.469565 0.094444 0.534010
C -2.358686 0.175812 1.636783
C -1.986836 0.089687 -0.781620
C 4.730519 -0.171553 -0.381011
C 5.320136 1.056171 -0.388315
C 5.450376 -1.371291 0.127562
C 4.682660 2.321231 -0.852773
C 7.327008 0.054042 0.582315
H -5.881681 -2.231334 -1.546527
H -7.562228 -1.570926 -1.716671
H -7.844736 -1.788195 0.708405
H -6.126331 -2.347348 0.859071
H -7.342507 1.841093 -0.365863
H -5.735455 2.442837 -0.909252
H 2.528652 -0.702589 1.137150
H 2.420072 0.969133 0.568494
H 0.737542 -1.413321 -0.501295
H 0.681345 0.242305 -1.180166
H 3.225023 -1.480152 -1.158869
H 3.121055 0.180134 -1.773156
H -4.419408 0.338130 2.259220
H -3.767980 0.181347 -1.995847
H 0.190281 -0.145947 1.744497
H -1.974607 0.176634 2.652440
H -1.323019 0.022419 -1.637197
H 7.055605 2.133571 0.171189
H 3.790667 2.121571 -1.473028
H 4.335685 2.932230 -0.003745
H 5.351212 2.943458 -1.464398
H 9.247928 0.843164 0.605391
H 9.044727 -0.545004 1.531302


%chk=000257731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257731

0 1
Cl -6.138730 2.814257 1.225865
O -6.302606 -0.399159 -1.347931
O -6.614534 -0.439348 0.978855
O 4.398349 -2.269463 0.316985
N -0.169575 0.168279 0.659696
N 6.871070 0.956627 0.155395
N 6.488526 -1.324154 0.783080
N 8.546614 -0.317767 1.249985
C -5.902638 0.290063 -0.079589
C -4.390967 0.235197 0.106081
C -6.695576 -1.786282 -0.980579
C -6.516827 -1.854724 0.559146
C -6.538297 1.679480 -0.217564
C 2.247411 0.165516 0.153024
C 0.819675 0.061087 -0.416024
C -3.822405 0.257521 1.406980
C -3.521799 0.189185 -1.009397
C 3.323745 0.012667 -0.954756
C -1.547818 0.183343 0.461011
C -2.430611 0.228022 1.584640
C -2.122519 0.160448 -0.845856
C 4.729412 0.012905 -0.391259
C 5.583491 1.096648 -0.412359
C 5.175752 -1.265882 0.251227
C 5.307675 2.467542 -0.985789
C 7.269411 -0.254067 0.723932
H -6.041162 -2.498658 -1.513194
H -7.744892 -1.928086 -1.292844
H -7.318593 -2.398604 1.080325
H -5.527253 -2.265694 0.834188
H -7.632504 1.587371 -0.239097
H -6.153031 2.181758 -1.115587
H 2.409175 -0.636932 0.897899
H 2.369598 1.139015 0.668507
H 0.712288 -0.903596 -0.960730
H 0.653581 0.871376 -1.158248
H 3.164029 -0.965683 -1.446472
H 3.188788 0.798626 -1.721395
H -4.485961 0.295775 2.276860
H -3.951944 0.152196 -2.016366
H 0.172958 0.087169 1.617023
H -2.010084 0.245306 2.598334
H -1.479228 0.109528 -1.729618
H 7.498771 1.762204 0.143259
H 4.276645 2.543866 -1.356718
H 5.445570 3.254500 -0.219116
H 5.989201 2.694093 -1.828642
H 9.211144 0.450436 1.224515
H 8.815677 -1.208406 1.661617


