%chk=000223921.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223921

0 1
S 1.881228 2.169805 0.638990
O 1.590117 -1.747536 0.676575
O -2.598029 0.610699 1.182227
O -0.048092 -1.750286 -0.910637
C 1.062134 0.630832 0.914398
C -0.290089 0.620805 1.500882
C 3.161041 -0.004647 -0.023300
C 1.862247 -0.393831 0.516020
C 3.314270 1.400939 -0.017075
C -1.362999 0.741968 0.412160
C 4.198559 -0.814463 -0.507143
C 4.473057 2.016938 -0.484127
C 5.359115 -0.203169 -0.975948
C 5.495661 1.198784 -0.965173
C -3.790968 0.589004 0.496842
C 0.590437 -2.356028 -0.092957
C -3.927526 0.648860 -0.895258
C -4.908699 0.495374 1.353325
C -5.218485 0.613791 -1.435143
C -6.177622 0.462966 0.785401
C 0.532973 -3.783351 0.314663
C -6.338851 0.522296 -0.607545
H -0.423528 1.433874 2.250194
H -0.461075 -0.317614 2.080510
H -1.303881 -0.076469 -0.331898
H -1.362544 1.725077 -0.085688
H 4.085949 -1.897322 -0.507589
H 4.578700 3.100084 -0.474571
H 6.176804 -0.813767 -1.357317
H 6.415900 1.647405 -1.338728
H -3.066594 0.713735 -1.551742
H -4.757953 0.452185 2.428199
H -5.344164 0.658411 -2.517008
H -7.054985 0.391428 1.427979
H -7.335707 0.496707 -1.038230
H 1.273599 -4.034482 1.092990
H 0.714026 -4.445036 -0.548223
H -0.465022 -4.034767 0.712143


%chk=000223921-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223921

0 1
S 1.694970 2.158466 0.443336
O 1.787074 -1.863178 0.811174
O -2.705602 0.469338 1.214832
O 0.014665 -2.070026 -0.720389
C 1.043313 0.504992 0.862399
C -0.323678 0.371756 1.470328
C 3.214139 -0.009177 -0.024446
C 1.963396 -0.472683 0.546234
C 3.239744 1.412353 -0.156041
C -1.454633 0.600973 0.448233
C 4.341957 -0.764823 -0.436854
C 4.353123 2.090386 -0.689265
C 5.458763 -0.094751 -0.970180
C 5.465935 1.322306 -1.096794
C -3.918885 0.619700 0.521647
C 0.790487 -2.593458 0.099188
C -4.018818 0.879135 -0.868134
C -5.088393 0.493485 1.313167
C -5.299627 1.009939 -1.455053
C -6.355593 0.626572 0.712709
C 0.831404 -4.047763 0.505800
C -6.470755 0.885947 -0.675993
H -0.454926 1.088314 2.302818
H -0.436846 -0.640396 1.898772
H -1.404028 -0.157642 -0.354521
H -1.389039 1.615898 0.005653
H 4.331687 -1.854326 -0.330020
H 4.361121 3.180752 -0.786768
H 6.334755 -0.668411 -1.291359
H 6.344359 1.826258 -1.513965
H -3.125180 0.973915 -1.491888
H -4.979047 0.293489 2.383712
H -5.375360 1.208978 -2.530206
H -7.256200 0.527895 1.329302
H -7.457382 0.988745 -1.139896
H 1.624391 -4.237281 1.242433
H 0.994446 -4.670655 -0.390737
H -0.146734 -4.335823 0.928970


