%chk=000257258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257258

0 1
S 1.388612 1.491173 1.210337
O -3.146574 1.435420 -0.809023
O -0.875677 -0.732610 -0.007171
O -2.443806 -1.613959 -1.494694
O 0.074429 1.593104 0.119304
O -2.780256 3.290209 0.520332
O 0.809186 0.964390 2.424690
O 1.982388 2.801444 1.201826
C -1.812730 0.097239 0.691286
C -3.192861 0.228093 0.001623
C -1.229827 1.542801 0.664429
C -2.138145 2.328336 -0.318467
C -3.567264 -0.901982 -0.956918
C -1.389369 -1.949908 -0.589713
C -1.840468 -2.925702 0.489324
C -0.270822 -2.439163 -1.497230
C -3.687994 4.176878 -0.166698
C 2.412532 0.366363 0.434709
C 3.591787 0.806531 -0.185183
C 2.087076 -0.994682 0.427072
C 4.446674 -0.108342 -0.792974
C 2.944331 -1.917013 -0.175618
C 4.130015 -1.480844 -0.788935
C 5.054000 -2.453768 -1.439722
H -1.887665 -0.298793 1.726234
H -3.996010 0.400473 0.753881
H -1.259589 1.998440 1.686173
H -1.658248 2.775613 -1.203741
H -4.243659 -1.634459 -0.482675
H -4.033626 -0.487918 -1.878952
H -2.696444 -2.556872 1.062685
H -1.033684 -3.121250 1.205987
H -2.138991 -3.883735 0.045168
H 0.416602 -1.609285 -1.734989
H -0.684847 -2.783410 -2.457977
H 0.307465 -3.253136 -1.055154
H -4.130052 4.752284 0.654816
H -4.449052 3.596385 -0.698459
H -3.130503 4.826666 -0.847126
H 3.842566 1.875081 -0.187003
H 1.148817 -1.336654 0.887250
H 5.361056 0.236936 -1.272234
H 2.691301 -2.975010 -0.168156
H 6.072176 -2.380140 -1.027726
H 4.735921 -3.498165 -1.320245
H 5.133533 -2.264259 -2.521644


%chk=000257258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257258

0 1
S 1.332205 1.127644 1.639070
O -3.156511 1.251986 -0.921157
O -1.142948 -0.864628 -0.199861
O -3.153571 -1.849555 -1.116863
O 0.149733 1.523632 0.203735
O -2.556116 3.402400 0.013684
O 0.525675 0.136144 2.642920
O 1.989662 2.474992 2.245978
C -1.875645 0.042357 0.696879
C -3.319725 0.282740 0.192821
C -1.257823 1.462850 0.574113
C -2.065189 2.164507 -0.555059
C -4.026755 -0.973943 -0.322136
C -1.857588 -2.136297 -0.481304
C -2.017792 -2.979568 0.801526
C -1.032217 -2.832331 -1.560304
C -3.251874 4.250295 -0.967155
C 2.603857 0.242418 0.584313
C 3.945537 0.633764 0.725913
C 2.163494 -0.768686 -0.282444
C 4.904967 -0.056242 -0.044607
C 3.149727 -1.437422 -1.042162
C 4.524675 -1.098756 -0.933243
C 5.573223 -1.820940 -1.758991
H -1.833923 -0.326520 1.737089
H -3.929186 0.746900 0.997961
H -1.448981 2.017663 1.513104
H -1.480820 2.344663 -1.476634
H -4.459042 -1.526656 0.538265
H -4.841394 -0.689576 -1.007407
H -2.676773 -2.504540 1.547768
H -1.031300 -3.133083 1.271226
H -2.449056 -3.961811 0.543108
H -0.885309 -2.140308 -2.404768
H -1.569127 -3.725321 -1.919977
H -0.051618 -3.140429 -1.158679
H -3.536075 5.164345 -0.424255
H -4.152673 3.741864 -1.357271
H -2.579507 4.510606 -1.810030
H 4.224000 1.447122 1.403162
H 1.094729 -0.992980 -0.378174
H 5.961666 0.221238 0.043962
H 2.841980 -2.227081 -1.737125
H 6.362714 -2.251247 -1.115618
H 5.132294 -2.641318 -2.349397
H 6.070705 -1.128091 -2.463279


