%chk=000270154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270154

0 1
S 3.458595 -1.060628 0.172422
O -4.607190 -0.290898 0.098736
O 3.885842 -0.226118 1.285770
O 3.886789 -2.448773 0.130290
O -3.033415 0.994215 1.156899
N 3.957226 -0.366539 -1.322033
N -2.465628 -0.850448 -0.203547
C -5.702417 0.564502 0.622879
C -6.898512 -0.393012 0.666795
C -5.992762 1.668389 -0.401099
C -8.031246 0.300872 -0.106959
C -7.365501 1.350007 -1.018030
C 5.251792 -0.842021 -1.875213
C 3.612792 1.056031 -1.570496
C -3.323432 0.064449 0.438303
C 1.736588 -0.980549 0.067407
C 6.529509 -0.235162 -1.268864
C 4.281599 2.074638 -0.630957
C -1.048587 -0.864099 -0.081704
C 1.040616 -1.900959 -0.724012
C 1.033630 -0.012057 0.794510
C 6.840525 -0.742975 0.133267
C 3.804359 3.491400 -0.925156
C -0.348668 -1.853029 -0.810003
C -0.354862 0.058967 0.723673
H -5.382638 0.948167 1.611265
H -6.623451 -1.356347 0.189868
H -7.190986 -0.635484 1.701094
H -5.990805 2.659967 0.085615
H -5.203293 1.706360 -1.173368
H -8.621730 -0.423417 -0.691848
H -8.736588 0.785236 0.591692
H -7.986904 2.255830 -1.108753
H -7.244239 0.950869 -2.040971
H 5.274711 -1.955529 -1.763864
H 5.239082 -0.640695 -2.971342
H 3.872315 1.298293 -2.626709
H 2.503489 1.148867 -1.505267
H 6.451239 0.875666 -1.252476
H 7.378030 -0.467313 -1.943128
H 4.085381 1.815250 0.433727
H 5.388311 2.009973 -0.736217
H -2.905553 -1.573407 -0.784942
H 1.588267 -2.672511 -1.278225
H 1.579917 0.695645 1.432909
H 7.859910 -0.482894 0.436069
H 6.742878 -1.833996 0.208186
H 6.162525 -0.310994 0.887554
H 4.288516 4.212827 -0.255168
H 2.722522 3.594886 -0.782019
H 4.033852 3.796220 -1.952304
H -0.877628 -2.574292 -1.427645
H -0.898469 0.820821 1.293987


%chk=000270154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270154

0 1
S 3.484338 -1.060826 0.263421
O -4.767359 -0.273654 0.162189
O 3.911454 -0.234029 1.612896
O 3.897763 -2.629899 0.088180
O -3.192916 1.089374 1.273683
N 4.010166 -0.249906 -1.318541
N -2.579491 -0.745412 -0.100788
C -5.895591 0.569636 0.703660
C -7.140518 -0.353543 0.766997
C -6.239715 1.679241 -0.313606
C -8.098131 0.123100 -0.373131
C -7.205869 0.986993 -1.304575
C 5.157017 -0.897428 -1.999487
C 3.766746 1.210275 -1.379068
C -3.472862 0.125096 0.519674
C 1.614397 -0.918754 0.135007
C 6.599423 -0.459464 -1.637031
C 4.625752 2.168955 -0.509148
C -1.168846 -0.762388 0.007423
C 0.933275 -1.822813 -0.697971
C 0.955073 0.043472 0.915560
C 6.989181 -0.727138 -0.167982
C 4.162436 3.629552 -0.700440
C -0.468885 -1.739179 -0.758284
C -0.450883 0.130767 0.849910
H -5.559469 0.961855 1.677635
H -6.816585 -1.397765 0.616700
H -7.621577 -0.299086 1.759131
H -6.766546 2.493445 0.222512
H -5.337315 2.114388 -0.775369
H -8.572330 -0.722143 -0.901487
H -8.910114 0.746383 0.047106
H -7.786025 1.703013 -1.912428
H -6.633236 0.339855 -1.995573
H 5.049428 -1.983441 -1.814449
H 4.979240 -0.731528 -3.082425
H 3.883779 1.475415 -2.450694
H 2.697136 1.379375 -1.136463
H 6.750179 0.607709 -1.890381
H 7.274205 -1.032242 -2.306483
H 4.533701 1.872796 0.551359
H 5.693020 2.077736 -0.779257
H -3.018268 -1.458098 -0.688217
H 1.483092 -2.579661 -1.265451
H 1.531253 0.694224 1.581446
H 8.048723 -0.467891 0.010593
H 6.847394 -1.793267 0.087882
H 6.373168 -0.139896 0.536592
H 4.763593 4.318367 -0.080426
H 3.102359 3.754868 -0.407720
H 4.260993 3.952468 -1.754863
H -1.025106 -2.435316 -1.397481
H -0.994345 0.870610 1.440267


