%chk=000191529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191529

0 1
S -0.625549 0.778117 0.388952
S 0.379631 1.905784 1.858138
O -4.056645 1.250499 0.654795
O 3.004654 2.014051 -1.039733
O -2.421310 -2.473277 -1.548786
O 3.198526 -0.842867 1.362305
N -1.124729 -0.619311 -0.822844
N 1.603464 -1.924534 -0.071141
C -3.794700 -0.154949 0.783993
C 2.548073 0.751293 -1.556030
C -2.960632 2.148433 0.932338
C 2.080882 2.746312 -0.198821
C -3.636527 -0.742499 -0.627100
C 3.360865 -0.376797 -0.902150
C -1.856266 2.063825 -0.102732
C 2.055827 2.191392 1.212786
C -2.263587 -1.228131 -0.969210
C 2.593776 -1.130460 0.145924
C -1.260494 -3.190321 -2.036941
C 2.567707 -1.288100 2.585252
H -2.934136 -0.357605 1.442905
H -4.722940 -0.529545 1.258624
H 1.460172 0.626364 -1.425166
H 2.789314 0.823078 -2.634162
H -3.490568 3.123588 0.886358
H -2.608140 1.981588 1.967129
H 2.535372 3.757219 -0.239600
H 1.093485 2.779766 -0.689005
H -3.939040 0.043652 -1.363877
H -4.366915 -1.571264 -0.779905
H 3.723864 -1.089256 -1.671742
H 4.277009 0.076280 -0.444913
H -1.333570 3.032992 -0.204390
H -2.256690 1.806284 -1.098534
H 2.536433 2.886390 1.929116
H 2.642037 1.248922 1.270094
H -0.251873 -1.080578 -1.138232
H 1.151738 -2.389127 0.711596
H -1.696493 -4.157852 -2.320317
H -0.511520 -3.317280 -1.246580
H -0.844853 -2.678530 -2.909833
H 3.238022 -0.875924 3.351869
H 2.547461 -2.378435 2.631993
H 1.569166 -0.841486 2.677976


%chk=000191529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191529

0 1
S -0.633542 1.129703 1.473752
S 0.746467 2.833484 2.221509
O -3.962048 1.015086 0.043677
O 3.245757 1.990574 -1.039660
O -2.681891 -2.309577 -1.940688
O 3.306653 -0.956763 1.441903
N -1.467311 -1.060059 -0.250543
N 1.492033 -1.348623 -0.122556
C -3.958577 -0.207963 0.868244
C 3.181293 0.696841 -1.729602
C -3.213770 2.154346 0.580560
C 2.035655 2.404074 -0.300195
C -3.910302 -1.400289 -0.091713
C 3.691822 -0.496331 -0.882411
C -1.712884 2.123607 0.243363
C 2.304346 2.407862 1.210694
C -2.553540 -1.553243 -0.752749
C 2.707489 -0.982136 0.161043
C -1.440419 -2.571915 -2.691626
C 2.481083 -1.399470 2.582998
H -3.085366 -0.227892 1.546080
H -4.891866 -0.238271 1.467460
H 2.151303 0.486723 -2.083303
H 3.846458 0.815159 -2.603543
H -3.662433 3.028499 0.070895
H -3.368083 2.270157 1.673544
H 1.779436 3.423893 -0.643651
H 1.193915 1.719660 -0.524918
H -4.677268 -1.282414 -0.877261
H -4.148318 -2.335348 0.453248
H 3.901457 -1.335287 -1.574289
H 4.636431 -0.217691 -0.387513
H -1.293423 3.144226 0.268189
H -1.560428 1.676640 -0.752110
H 3.025908 3.196837 1.488988
H 2.692172 1.436622 1.551425
H -0.557183 -1.183989 -0.737444
H 0.903237 -1.604477 0.693103
H -1.748836 -3.200827 -3.538517
H -0.698553 -3.105072 -2.067795
H -0.996241 -1.628658 -3.061063
H 3.138619 -1.305945 3.458288
H 2.167319 -2.453439 2.458372
H 1.593728 -0.750615 2.706214


