%chk=000188335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188335

0 1
S -3.679098 0.774748 -0.867679
O 0.676178 -2.121124 -0.715167
O -0.748113 1.125116 1.259233
O 5.835170 -0.468005 1.228123
O 5.805900 -0.028477 -0.970803
O -3.661247 -1.811141 -2.017047
O -1.895601 -0.508590 -2.523328
O -2.239702 3.008283 -0.471354
N -0.994916 -0.898849 0.233510
N 3.816041 1.953430 -0.034913
N -2.877096 0.430562 3.064765
C 2.803638 -0.399972 -0.161671
C 1.386786 -0.036348 0.282744
C 3.849412 0.554621 0.447910
C -2.909176 0.105727 1.623811
C 0.406512 -1.096387 -0.133411
C -1.486155 0.184479 1.007089
C -1.948091 -1.826996 -0.418361
C -3.816803 1.104989 0.905024
C 5.240402 0.024681 0.091533
C -2.443875 -1.240043 -1.731955
C -2.701115 2.223088 -1.526705
H 2.870837 -0.399390 -1.271027
H 3.032384 -1.449317 0.130216
H 1.073811 0.947779 -0.138486
H 1.339525 0.119557 1.386765
H 3.747108 0.571322 1.571040
H -3.326059 -0.937623 1.517677
H -1.434445 -2.804945 -0.644109
H -2.804575 -2.075905 0.254995
H -3.549605 2.163839 1.130037
H -4.872643 0.981055 1.224367
H -2.491903 1.358464 3.235682
H -2.327105 -0.240576 3.592637
H 2.965073 2.422076 0.259468
H 3.870972 2.001550 -1.050575
H -3.388576 2.876729 -2.095763
H -1.896303 1.798933 -2.157337
H 6.754677 -0.812953 1.066929
H -4.042473 -1.503996 -2.884312
H -1.433450 2.616409 -0.033053


%chk=000188335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188335

0 1
S -4.467759 1.222551 -0.487899
O 0.702595 -1.986976 -1.039272
O -0.940785 1.450988 0.569366
O 5.499229 -0.943165 1.438934
O 6.111701 0.240572 -0.464081
O -3.342898 -2.442032 -2.305507
O -2.059341 -0.516886 -2.564679
O -2.562708 3.368831 -0.511699
N -1.003049 -0.834928 0.044605
N 3.867258 1.852523 -0.202184
N -2.315075 0.299755 2.964058
C 2.845179 -0.497016 0.027747
C 1.404016 0.030529 0.146393
C 3.868324 0.590495 0.524632
C -2.788769 0.208923 1.574319
C 0.386227 -0.983714 -0.348433
C -1.546283 0.332443 0.640506
C -1.904823 -1.876670 -0.488443
C -3.812836 1.317352 1.272763
C 5.268267 -0.009010 0.423212
C -2.414999 -1.494939 -1.880458
C -3.212497 2.464076 -1.392335
H 3.063293 -0.757497 -1.023599
H 2.967331 -1.416291 0.630136
H 1.277867 0.950396 -0.456537
H 1.170400 0.332110 1.185092
H 3.663994 0.773049 1.598607
H -3.288107 -0.765186 1.458285
H -1.338974 -2.818327 -0.586421
H -2.766612 -2.056157 0.168495
H -3.386646 2.326807 1.411419
H -4.679397 1.203847 1.941517
H -1.821269 1.164180 3.201100
H -1.912876 -0.545435 3.374583
H 3.026632 2.424183 -0.176613
H 4.432667 1.890067 -1.050306
H -3.867832 3.040497 -2.058522
H -2.520608 1.809794 -1.949834
H 6.399256 -1.350638 1.314777
H -3.681518 -2.202936 -3.209959
H -1.812273 2.890637 -0.047265


