%chk=000179382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179382

0 1
S -1.739653 -0.308074 -1.092493
S 1.499853 0.396195 -0.987498
S -0.018910 -0.994940 1.798553
P 0.046221 -0.832309 -0.128148
O 0.489796 -2.205744 -0.958948
C -4.098986 0.758426 -0.422289
C 4.004563 1.140862 -0.418452
C -2.756992 0.469202 0.233833
C 2.954545 0.181571 0.123011
C -5.058534 1.417838 0.583390
C 5.289870 1.064079 0.423464
C -6.412734 1.717727 -0.052967
C 6.358144 2.018704 -0.102287
C -0.123235 -3.449179 -0.544105
H -4.558326 -0.174056 -0.811662
H -3.974921 1.423263 -1.302582
H 3.624959 2.184127 -0.415881
H 4.243916 0.909485 -1.477435
H -2.269366 1.393673 0.597767
H -2.861478 -0.214430 1.100567
H 3.304379 -0.868194 0.094414
H 2.686296 0.418362 1.172513
H -4.612507 2.354293 0.973193
H -5.195970 0.757818 1.462932
H 5.681021 0.027417 0.422437
H 5.062823 1.302469 1.481645
H -6.318852 2.400786 -0.905303
H -6.901860 0.806287 -0.416054
H -7.092202 2.187366 0.668089
H 7.271384 1.960263 0.501521
H 6.018202 3.060730 -0.079528
H 6.635779 1.787410 -1.137295
H 0.078534 -3.673425 0.511510
H -1.197377 -3.453607 -0.762700
H 0.393917 -4.177097 -1.187814


%chk=000179382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179382

0 1
S -1.674305 0.615286 -2.147115
S 1.788999 0.944476 -1.499973
S -0.580178 0.792421 1.399406
P -0.102187 0.181273 -0.530452
O 0.223810 -1.536419 -0.701929
C -4.042196 0.463255 -0.524874
C 4.389546 1.025461 -0.435014
C -3.002399 1.450641 -1.070513
C 3.019546 0.389721 -0.144643
C -5.148047 1.186750 0.283482
C 5.436963 0.609762 0.629339
C -6.200903 0.203348 0.839306
C 6.821563 1.238459 0.361101
C -0.743069 -2.467756 -0.081832
H -3.535791 -0.273055 0.129868
H -4.501419 -0.101263 -1.360083
H 4.295657 2.128847 -0.448770
H 4.746633 0.716726 -1.437297
H -3.449209 2.205410 -1.742251
H -2.471795 1.971170 -0.251299
H 3.059343 -0.710652 -0.170425
H 2.611805 0.728839 0.823371
H -5.646744 1.938103 -0.361982
H -4.683271 1.745720 1.120034
H 5.526293 -0.495010 0.645030
H 5.078439 0.912425 1.633506
H -6.701518 -0.347479 0.020873
H -5.731508 -0.541379 1.509108
H -6.980306 0.733266 1.416615
H 7.555280 0.931926 1.128631
H 6.764467 2.342937 0.369188
H 7.214107 0.928569 -0.625427
H -0.838653 -2.273005 1.002263
H -1.730611 -2.385085 -0.573941
H -0.316043 -3.466394 -0.257902


