%chk=000296098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296098

0 1
S 3.352231 0.015973 -0.399808
S -2.427102 1.029211 -1.279400
O -1.433342 1.305205 0.064317
O 4.348910 0.466077 0.554857
O 3.481387 0.297025 -1.810718
O 3.230759 3.199651 2.375418
O 3.084054 3.492503 0.157683
O -1.798660 -0.049538 -2.003471
O -2.594752 2.318423 -1.902140
N 1.865421 0.721672 0.137415
C 1.811442 1.655897 1.278049
C -0.182489 1.989158 -0.131150
C 0.364718 2.193503 1.296108
C 0.841562 1.101638 -0.877055
C 2.768427 2.852053 1.127402
C 3.072075 -1.669104 -0.180124
C 2.397946 -2.404137 -1.162674
C 3.528807 -2.308051 0.977948
C -3.847284 0.514183 -0.481145
C 2.175748 -3.769453 -0.987298
C 3.310679 -3.673813 1.159337
C 2.630056 -4.414158 0.177222
C -4.848053 1.443216 -0.162594
C -4.015422 -0.834556 -0.142908
C -6.006486 1.028453 0.489671
C -5.173216 -1.255091 0.510581
C 2.401168 -5.877762 0.354476
C -6.177594 -0.326030 0.833495
C -7.420683 -0.760915 1.531747
H 2.075054 1.105620 2.220475
H -0.389839 2.943779 -0.661776
H -0.257076 1.608840 2.008269
H 0.297455 3.244510 1.620559
H 0.365754 0.172215 -1.273671
H 1.289553 1.643777 -1.741916
H 2.049784 -1.911516 -2.078025
H 4.069101 -1.736505 1.742194
H 3.896462 3.937688 2.347217
H 1.651847 -4.335736 -1.755312
H 3.672095 -4.164621 2.060704
H -4.722741 2.498710 -0.433529
H -3.238654 -1.565371 -0.397210
H -6.781957 1.753060 0.733699
H -5.297309 -2.305334 0.769537
H 1.380758 -6.172579 0.070001
H 3.090622 -6.459483 -0.277944
H 2.555765 -6.213308 1.388810
H -7.428187 -1.832330 1.774695
H -7.561725 -0.217349 2.478879
H -8.313669 -0.566398 0.917107


%chk=000296098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296098

0 1
S 3.365975 -0.083408 -0.442496
S -2.821619 1.250470 -1.277936
O -1.722143 0.980826 0.234811
O 4.442127 0.653097 0.546758
O 3.325180 0.178479 -2.050505
O 3.024567 3.260933 2.030192
O 2.435967 3.132768 -0.217791
O -2.495583 0.100753 -2.371507
O -2.718842 2.820223 -1.672671
N 1.655557 0.275928 0.323936
C 1.710421 1.353218 1.358388
C -0.370587 1.551868 0.078486
C 0.192605 1.646839 1.523457
C 0.608215 0.623378 -0.700094
C 2.436010 2.639345 0.930587
C 3.519580 -1.939879 -0.182511
C 3.138460 -2.787625 -1.234295
C 4.036498 -2.400424 1.037154
C -4.448275 0.887523 -0.431889
C 3.272795 -4.178598 -1.035028
C 4.162490 -3.797041 1.209698
C 3.781698 -4.702208 0.184119
C -5.125573 1.951450 0.186610
C -4.931069 -0.428658 -0.471103
C -6.362086 1.665075 0.800834
C -6.171916 -0.685906 0.154128
C 3.942350 -6.200065 0.369998
C -6.899717 0.348347 0.798352
C -8.232893 0.065316 1.464830
H 2.167964 0.980739 2.285441
H -0.442864 2.544607 -0.402461
H -0.260514 0.846863 2.132486
H -0.005946 2.619392 2.000925
H 0.096036 -0.296333 -1.027906
H 1.044483 1.137376 -1.576086
H 2.770399 -2.370929 -2.177488
H 4.348903 -1.692780 1.811660
H 3.492075 4.087942 1.732431
H 2.982204 -4.865309 -1.838478
H 4.565104 -4.186299 2.151661
H -4.710213 2.963882 0.170853
H -4.368377 -1.215678 -0.982669
H -6.917260 2.474104 1.289202
H -6.576701 -1.703719 0.139987
H 3.058313 -6.749908 0.000606
H 4.818105 -6.575361 -0.193423
H 4.091697 -6.464730 1.430456
H -8.495808 -1.004274 1.413201
H -8.216764 0.360110 2.530349
H -9.047629 0.637182 0.982743


