%chk=000253892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253892

0 1
S -1.265269 2.040284 -1.544696
O -1.538782 -1.208456 -0.626238
O -3.161828 0.048695 0.448983
O -0.250592 1.903361 -2.551009
O -1.771481 3.343585 -1.215010
O 5.118162 -0.142699 1.647686
O 4.932635 -1.515167 -0.012779
N 4.490391 -0.657370 0.735122
C -0.936897 1.078975 -0.040110
C -2.068832 0.080841 -0.441508
C -2.540601 0.814680 -1.713627
C 0.454361 0.605585 0.143903
C 1.226340 1.156793 1.186782
C 1.027907 -0.356680 -0.706895
C -2.475382 -2.233325 -1.095182
C -2.906639 -0.523062 1.772458
C 2.544140 0.751178 1.380817
C 2.344630 -0.769487 -0.520959
C -1.829429 -3.538108 -0.677878
C -4.278365 -0.927348 2.272015
C 3.097817 -0.216183 0.527216
H -1.272755 1.639088 0.868151
H -2.513379 0.203117 -2.625090
H -3.580666 1.177134 -1.642133
H 0.798071 1.909422 1.848787
H 0.432609 -0.791658 -1.516992
H -3.462018 -2.066293 -0.627514
H -2.544305 -2.119023 -2.190534
H -2.209956 -1.374542 1.672462
H -2.448039 0.276635 2.379174
H 3.151599 1.175493 2.187917
H 2.798426 -1.516820 -1.181402
H -2.364326 -4.400412 -1.093368
H -0.785793 -3.592186 -1.021586
H -1.802856 -3.648318 0.414042
H -4.246562 -1.231159 3.325108
H -4.991606 -0.094221 2.183832
H -4.695230 -1.759249 1.690554


%chk=000253892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253892

0 1
S -1.241127 1.865641 -1.972278
O -1.630845 -1.279912 -0.815716
O -3.185693 -0.035693 0.550262
O -0.275299 1.212673 -3.116704
O -1.558980 3.464851 -1.941366
O 5.031143 0.097794 2.137341
O 5.056410 -1.374052 0.393764
N 4.472998 -0.488344 1.130166
C -0.971387 0.968241 -0.107209
C -2.169552 0.020669 -0.491079
C -2.824091 0.762826 -1.693882
C 0.408111 0.546718 0.196419
C 1.086178 1.169463 1.286901
C 1.112623 -0.399985 -0.605405
C -2.622087 -2.279777 -1.303683
C -2.717447 -0.617376 1.840044
C 2.413422 0.837084 1.602592
C 2.442688 -0.737893 -0.301713
C -1.926303 -3.638736 -1.284973
C -3.937322 -0.712754 2.751798
C 3.072350 -0.122543 0.802360
H -1.352686 1.769426 0.547817
H -3.038725 0.167341 -2.589524
H -3.644474 1.429070 -1.395242
H 0.561783 1.918240 1.892104
H 0.609797 -0.854982 -1.459477
H -3.510738 -2.257853 -0.645025
H -2.935224 -2.011183 -2.332676
H -2.261145 -1.606867 1.648223
H -1.939452 0.045182 2.272123
H 2.944752 1.297331 2.439212
H 3.002468 -1.458127 -0.903757
H -2.615849 -4.419289 -1.654313
H -1.033074 -3.631385 -1.932695
H -1.611532 -3.906455 -0.261911
H -3.644781 -1.128473 3.732943
H -4.385205 0.282467 2.914255
H -4.706204 -1.370239 2.310804


