%chk=000236558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236558

0 1
S 1.248703 1.106487 -1.093704
O 1.665049 2.459850 -0.843617
O 0.701469 0.781470 -2.380805
O 0.037508 -0.769370 2.025504
N 0.108652 0.641099 0.157761
C -1.252343 1.251701 0.257351
C -1.494682 1.882629 1.644250
C 2.437903 -0.041285 -0.562974
C 0.602924 -0.331797 1.049240
C 1.985844 -0.735240 0.580510
C -2.306378 0.213472 -0.093785
C -0.741124 3.196428 1.811303
C 3.677323 -0.309594 -1.107060
C 2.771929 -1.699923 1.186578
C -2.903168 0.254649 -1.362847
C -2.691496 -0.777241 0.819734
C 4.485894 -1.292601 -0.495695
C 4.039939 -1.975197 0.632241
C -3.889521 -0.674606 -1.704934
C -3.678055 -1.704749 0.474719
C -4.281568 -1.652883 -0.785737
H -1.285015 2.078025 -0.510053
H -1.204295 1.169710 2.445769
H -2.582838 2.049471 1.777726
H -1.116806 3.974501 1.136464
H -0.833724 3.577510 2.834722
H 0.331432 3.082907 1.601000
H 4.039960 0.217919 -1.991806
H 2.416407 -2.233328 2.071313
H -2.593100 1.002753 -2.092494
H -2.205593 -0.834424 1.798302
H 5.467523 -1.513603 -0.917007
H 4.671868 -2.733674 1.098785
H -4.349017 -0.637692 -2.691045
H -3.973494 -2.470780 1.189437
H -5.050912 -2.374594 -1.052546


%chk=000236558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236558

0 1
S 1.205732 1.330470 -1.101197
O 1.747922 2.821793 -0.768000
O 0.500400 1.089136 -2.543626
O 0.031804 -0.934394 1.974506
N 0.064121 0.698624 0.284053
C -1.316335 1.258012 0.389847
C -1.519799 1.946876 1.763856
C 2.449996 0.002633 -0.620349
C 0.605576 -0.360055 1.004251
C 1.964349 -0.731474 0.474023
C -2.353059 0.185942 0.015470
C -0.592708 3.161512 1.964615
C 3.685289 -0.213849 -1.236113
C 2.766248 -1.766795 0.996391
C -2.532471 -0.136370 -1.354691
C -3.127005 -0.489972 0.989671
C 4.479620 -1.260629 -0.701009
C 4.022922 -2.025169 0.401413
C -3.479390 -1.107713 -1.744922
C -4.077227 -1.460321 0.599125
C -4.258650 -1.771009 -0.767731
H -1.357326 2.048497 -0.387660
H -1.363062 1.208909 2.570278
H -2.578206 2.268215 1.814166
H -0.782357 3.944953 1.207407
H -0.749825 3.608016 2.962727
H 0.471766 2.877839 1.882339
H 4.027562 0.384452 -2.085302
H 2.392561 -2.344534 1.847792
H -1.919748 0.367968 -2.112818
H -2.983545 -0.273258 2.052179
H 5.455272 -1.476164 -1.148155
H 4.653172 -2.827814 0.797400
H -3.610192 -1.344977 -2.806674
H -4.670095 -1.977527 1.361941
H -4.996114 -2.523823 -1.068601


