%chk=000265982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265982

0 1
S -0.003471 -3.077006 -0.127618
O -4.960445 1.383069 -1.519245
O 4.969311 1.364686 -1.521339
O -0.004925 -4.008759 0.997499
O -0.004371 -3.589942 -1.490596
N -4.722650 0.482060 0.581742
N 4.726964 0.467283 0.580671
C -6.605760 2.086628 0.147350
C 6.615095 2.065742 0.145917
C -5.363274 1.311471 -0.378639
C 5.370993 1.293354 -0.380318
C -7.039652 3.053577 -0.961318
C -7.717279 1.067971 0.428429
C -6.238300 2.873179 1.411588
C 7.721774 1.044433 0.436271
C 6.245838 2.860126 1.404725
C 7.056820 3.025261 -0.966111
C -1.370005 -2.028963 0.058006
C 1.366453 -2.033353 0.057726
C -3.592527 -0.354080 0.359939
C 3.594269 -0.365436 0.359131
C -1.991405 -1.908100 1.305201
C 1.986848 -1.912326 1.305395
C -1.880281 -1.329218 -1.040688
C 1.880355 -1.337371 -1.041678
C -3.093838 -1.074699 1.471905
C 3.091901 -1.082340 1.471836
C -2.980168 -0.486490 -0.900720
C 2.982917 -0.498106 -0.901994
H -7.226634 2.523335 -1.906156
H -7.953879 3.591686 -0.693124
H -6.261874 3.797199 -1.177360
H -8.645083 1.574543 0.723674
H -7.951931 0.471123 -0.463222
H -7.463621 0.370502 1.232460
H -5.346341 3.493631 1.257989
H -7.052566 3.554147 1.693798
H -6.054745 2.230028 2.277481
H 7.956184 0.440898 -0.450914
H 8.650901 1.549218 0.730478
H 7.463521 0.353260 1.244248
H 7.062016 3.538657 1.687234
H 5.357454 3.483964 1.244178
H 6.055320 2.222067 2.272862
H 7.970997 3.562728 -0.696481
H 7.247091 2.489243 -1.906977
H 6.281858 3.769490 -1.190208
H -5.100325 0.472355 1.533075
H 5.103888 0.457613 1.532286
H -1.614857 -2.483478 2.159960
H 1.607444 -2.484888 2.160766
H -1.420878 -1.449764 -2.028854
H 1.421675 -1.458249 -2.030155
H -3.564145 -0.992322 2.447208
H 3.561371 -0.999763 2.447525
H -3.369068 0.062413 -1.766107
H 3.374640 0.047917 -1.767929


%chk=000265982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265982

0 1
S -0.008374 -3.001243 0.646748
O -5.419177 0.857598 -1.709689
O 5.408767 0.843344 -1.719947
O -0.008283 -3.689098 2.136658
O -0.014043 -3.859873 -0.747906
N -4.937779 0.588151 0.565029
N 4.945456 0.554380 0.556093
C -6.922385 1.971213 -0.116545
C 6.933001 1.931589 -0.129272
C -5.694834 1.093946 -0.495964
C 5.696412 1.066080 -0.506433
C -6.748415 3.333502 -0.848070
C -8.180692 1.243497 -0.675238
C -7.095269 2.216391 1.404119
C 8.181681 1.199141 -0.703416
C 7.119280 2.163267 1.391933
C 6.763626 3.300924 -0.848451
C -1.514329 -1.859555 0.591369
C 1.505647 -1.870282 0.587988
C -3.786277 -0.241691 0.519411
C 3.788292 -0.267669 0.512313
C -2.069135 -1.438481 1.810684
C 2.074799 -1.466496 1.806515
C -2.067116 -1.528966 -0.654966
C 2.049324 -1.530230 -0.659830
C -3.211859 -0.619439 1.767197
C 3.223045 -0.655277 1.761224
C -3.212601 -0.707053 -0.697611
C 3.200078 -0.715808 -0.704278
H -6.593795 3.168184 -1.927186
H -7.652573 3.953747 -0.707442
H -5.879834 3.893872 -0.455096
H -9.076257 1.874426 -0.526887
H -8.059226 1.047325 -1.753731
H -8.349963 0.277548 -0.164050
H -6.229596 2.749070 1.844729
H -7.979512 2.857694 1.568178
H -7.277409 1.278387 1.965049
H 8.050823 1.013181 -1.782622
H 9.083057 1.822052 -0.556360
H 8.347269 0.227632 -0.201663
H 8.008204 2.798510 1.554155
H 6.259947 2.696690 1.843844
H 7.301052 1.219691 1.943582
H 7.673955 3.912768 -0.710914
H 6.598187 3.145478 -1.927422
H 5.903058 3.865117 -0.443469
H -5.253545 0.844750 1.502584
H 5.270721 0.799892 1.493377
H -1.633496 -1.769852 2.758797
H 1.645170 -1.805298 2.754768
H -1.627337 -1.927705 -1.575226
H 1.598696 -1.915692 -1.580473
H -3.667332 -0.278334 2.705337
H 3.689766 -0.327856 2.698705
H -3.672749 -0.425589 -1.645806
H 3.653480 -0.427348 -1.653621


