%chk=000291547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291547

0 1
S 1.220363 2.891977 -0.597138
S -3.742261 -2.660041 1.214408
O 2.343404 3.799922 -0.485089
O 1.166169 1.965976 -1.713607
O -4.083816 -3.957432 1.759243
O -4.343661 -1.455201 1.734719
N 1.253897 2.000329 0.883763
N -2.034342 -2.581039 1.440408
N 6.544990 -1.414483 -0.075577
C 0.991521 -0.481964 0.935545
C 0.435397 0.820268 0.989781
C 2.434007 -0.685051 0.691136
C -1.225143 -1.421228 1.312331
C 0.161087 -1.591258 1.108117
C -0.940977 0.981416 1.218246
C -1.771529 -0.125975 1.373419
C 3.259823 -1.209104 1.695531
C 2.989598 -0.372216 -0.561025
C 5.187305 -1.088864 0.210698
C 4.619842 -1.402838 1.468429
C 4.344602 -0.566358 -0.800992
C -0.271455 3.760228 -0.515232
C -3.913512 -2.693331 -0.502793
C -0.407597 4.833459 0.370307
C -1.334794 3.392990 -1.346922
C -4.179988 -3.908257 -1.144185
C -3.791447 -1.517629 -1.250211
C 7.462359 -1.527476 1.092193
C 7.182416 -0.673408 -1.199458
C -1.615312 5.536257 0.432375
C -2.541411 4.095075 -1.286359
C -4.318941 -3.949056 -2.534125
C -3.928108 -1.557020 -2.641017
C -2.680633 5.165361 -0.394776
C -4.190246 -2.773022 -3.281707
H 0.594529 -2.589263 1.063482
H -1.365252 1.984597 1.294609
H 2.183409 1.870876 1.319357
H -2.833979 0.030348 1.592880
H -1.536473 -3.432881 1.731096
H 2.834140 -1.461789 2.667110
H 2.348359 0.035663 -1.354306
H 5.236058 -1.812147 2.265053
H 4.746269 -0.319238 -1.782075
H 0.428029 5.130063 1.012715
H -1.218928 2.558105 -2.048471
H -4.285823 -4.828722 -0.557168
H -3.591670 -0.562956 -0.752671
H 7.606408 -0.580930 1.636254
H 7.071543 -2.282334 1.797256
H 8.446593 -1.888630 0.751685
H 7.281569 0.408439 -1.017735
H 8.183872 -1.090309 -1.393584
H 6.590688 -0.819557 -2.121009
H -1.723958 6.371597 1.122841
H -3.370671 3.811883 -1.932478
H -4.526552 -4.894554 -3.033523
H -3.827555 -0.642862 -3.224437
H -3.623104 5.712809 -0.345969
H -4.294813 -2.804317 -4.367346


%chk=000291547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291547

0 1
S -0.323864 2.366084 -0.842219
S -3.771002 -3.374940 1.066897
O 0.871642 2.265448 -1.989644
O -1.709387 1.486623 -1.064314
O -4.099674 -4.960570 1.197957
O -4.848049 -2.225544 1.441909
N 0.359251 1.793609 1.345957
N -2.223833 -3.104670 2.336524
N 6.057061 -1.155118 -0.245845
C 0.556920 -0.727169 1.439021
C -0.164399 0.540246 1.575220
C 1.966326 -0.806675 0.990058
C -1.509183 -1.915249 2.138419
C -0.139184 -1.916043 1.742618
C -1.538249 0.515161 2.017331
C -2.200898 -0.668934 2.311291
C 2.881661 -1.662218 1.670594
C 2.464595 -0.090785 -0.140497
C 4.725456 -1.048809 0.152795
C 4.222544 -1.781721 1.278476
C 3.801080 -0.209633 -0.551064
C -0.871065 4.176148 -0.817866
C -3.050317 -3.039561 -0.655260
C 0.055059 5.151949 -1.222974
C -2.178681 4.470762 -0.396451
C -2.785981 -4.160856 -1.461618
C -2.787272 -1.711007 -1.031768
C 6.975714 -2.046849 0.476006
C 6.544106 -0.387026 -1.401584
C -0.359687 6.504122 -1.198435
C -2.574833 5.828295 -0.378594
C -2.225733 -3.921186 -2.737476
C -2.204175 -1.498846 -2.303741
C -1.666662 6.839736 -0.772495
C -1.930357 -2.598684 -3.150088
H 0.363633 -2.877839 1.581768
H -2.032958 1.484142 2.131198
H 1.377405 1.749514 1.114253
H -3.240509 -0.679821 2.649300
H -1.675900 -3.976692 2.213481
H 2.538145 -2.215558 2.552923
H 1.800825 0.519419 -0.765380
H 4.883713 -2.435403 1.853779
H 4.116057 0.342134 -1.440579
H 1.050980 4.858654 -1.570284
H -2.866529 3.664229 -0.123465
H -3.026883 -5.169772 -1.111159
H -3.007627 -0.858843 -0.383723
H 7.077462 -1.755267 1.540728
H 6.637147 -3.101925 0.440251
H 7.973889 -1.995456 0.014554
H 6.408683 0.702406 -1.252486
H 7.618859 -0.579709 -1.542508
H 6.019941 -0.671904 -2.335940
H 0.335445 7.289430 -1.513956
H -3.589483 6.091651 -0.061696
H -2.019743 -4.766535 -3.402454
H -1.963068 -0.471622 -2.593350
H -1.980426 7.889191 -0.755176
H -1.483695 -2.425614 -4.135213


