%chk=000240635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240635

0 1
S 0.774593 -1.613571 -0.143064
S 1.361390 1.385422 -0.189098
O -0.020262 -2.513446 0.678459
O 0.609338 -1.651870 -1.578351
O 2.733414 0.894056 -0.115743
O 0.862184 1.886492 -1.446140
C -1.120097 0.362120 0.244552
C 0.387780 0.046975 0.442053
C -1.606106 0.200805 -1.207106
C -2.001947 -0.468936 1.201470
C -3.073345 0.632564 -1.327295
C -3.471698 -0.043675 1.082749
C -3.969482 -0.158887 -0.364800
C 2.457679 -1.860318 0.274924
C 1.159865 2.636821 1.041714
C 2.886434 -3.246900 -0.178606
C 1.854147 3.907847 0.575381
H -1.271787 1.439461 0.527698
H 0.539487 -0.002581 1.550661
H -1.499853 -0.846562 -1.560314
H -0.977171 0.797609 -1.905084
H -1.660007 -0.364006 2.245137
H -1.909871 -1.556392 0.971796
H -3.414876 0.482137 -2.369658
H -3.168784 1.717139 -1.131535
H -3.600197 0.994083 1.443175
H -4.093312 -0.676988 1.744156
H -5.012956 0.197914 -0.436883
H -3.986935 -1.224809 -0.667201
H 3.135097 -1.092138 -0.191439
H 2.655823 -1.741677 1.357468
H 0.090528 2.854435 1.244352
H 1.577125 2.330225 2.021498
H 3.943351 -3.427886 0.060142
H 2.303799 -4.041820 0.310348
H 2.781436 -3.373786 -1.267518
H 1.713814 4.724563 1.295995
H 2.939228 3.766757 0.458306
H 1.460272 4.261324 -0.391398


%chk=000240635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240635

0 1
S 0.814431 -1.714613 -0.323821
S 1.402375 1.480792 -0.273269
O -0.241193 -2.795368 0.318664
O 0.984592 -1.609415 -1.939708
O 2.950725 0.934386 -0.233887
O 0.772183 2.143655 -1.622088
C -1.253496 0.335762 0.190760
C 0.225251 0.038266 0.416163
C -1.775546 0.017109 -1.238693
C -2.134290 -0.352783 1.278474
C -3.247986 0.468224 -1.372892
C -3.608113 0.091997 1.129200
C -4.145064 -0.186537 -0.295632
C 2.569120 -2.056611 0.481891
C 1.281582 2.835807 1.143320
C 3.178488 -3.253044 -0.238845
C 2.083610 4.049683 0.686178
H -1.372688 1.437414 0.332899
H 0.535138 -0.028168 1.476217
H -1.710252 -1.073532 -1.414444
H -1.140487 0.512052 -1.993667
H -1.759860 -0.095359 2.290817
H -2.047600 -1.448510 1.163710
H -3.617022 0.212280 -2.383899
H -3.307005 1.573394 -1.283371
H -3.691236 1.178554 1.344395
H -4.228223 -0.431941 1.881704
H -5.184632 0.183170 -0.387120
H -4.175099 -1.281887 -0.465087
H 3.098075 -1.101051 0.323387
H 2.316393 -2.237994 1.539503
H 0.201701 3.027554 1.250196
H 1.696345 2.323622 2.026374
H 4.187040 -3.437665 0.176057
H 2.576345 -4.167780 -0.104039
H 3.285236 -3.049257 -1.317763
H 2.018800 4.839771 1.457133
H 3.147025 3.794538 0.540471
H 1.683433 4.455986 -0.258488


