%chk=000230356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230356

0 1
S 0.027313 1.096189 0.429997
O 4.420424 -0.670286 -2.302652
O -5.103182 0.864426 -1.950827
C 6.022708 -1.479894 -0.168294
C 4.854630 -0.535746 0.019652
C 2.653554 1.231542 0.312607
C -6.205574 -0.832375 0.169484
C 4.059895 -0.143599 -1.080869
C -4.948223 -0.028051 0.320806
C 4.506322 -0.017061 1.269026
C 5.804586 -2.772221 0.629129
C 7.337989 -0.795308 0.225846
C 1.501306 2.169813 0.471473
C -2.570966 1.490553 0.570475
C 2.973786 0.729154 -0.958539
C 3.421401 0.854827 1.422564
C -5.899644 -2.250227 -0.341769
C -1.319312 2.292869 0.718268
C -4.460910 0.767642 -0.737356
C -4.205229 -0.047233 1.507197
C -3.288372 1.527621 -0.631034
C -3.033779 0.701444 1.637933
C -7.173649 -3.060568 -0.557878
H 6.086736 -1.751978 -1.257353
H -6.745898 -0.888677 1.136731
H -6.910293 -0.322605 -0.522003
H 5.091612 -0.299162 2.145391
H 5.785045 -2.591105 1.708488
H 6.601469 -3.496493 0.431041
H 4.852285 -3.243554 0.358794
H 7.479368 0.135480 -0.335448
H 8.196187 -1.442537 0.016900
H 7.367215 -0.544145 1.290851
H 1.545092 2.735931 1.420347
H 1.461037 2.915747 -0.345017
H 2.379247 1.002144 -1.824932
H 3.173209 1.230255 2.412212
H -5.318241 -2.195484 -1.283372
H -5.238089 -2.768500 0.381302
H -1.264346 3.125727 -0.007439
H -1.230475 2.739938 1.726640
H -4.547092 -0.658780 2.342840
H -2.955566 2.116470 -1.482757
H -2.470894 0.662916 2.568458
H -7.749639 -3.165923 0.368907
H -7.831661 -2.598608 -1.302070
H -6.941376 -4.072172 -0.912204
H 3.805515 -0.384448 -3.021374
H -5.922224 0.300451 -1.975874


%chk=000230356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230356

0 1
S 0.018862 0.620071 0.441745
O 4.817759 -0.502909 -2.364087
O -5.192753 0.491089 -2.135529
C 6.534450 -1.269784 -0.206325
C 5.245235 -0.475947 0.014926
C 2.811430 1.006594 0.428301
C -6.626756 -0.661733 0.193880
C 4.405155 -0.108491 -1.071677
C -5.283564 0.043664 0.304537
C 4.826388 -0.080876 1.307944
C 6.462909 -2.658232 0.484709
C 7.777995 -0.475097 0.274240
C 1.532304 1.780688 0.638754
C -2.710927 1.304323 0.491630
C 3.211707 0.621207 -0.874445
C 3.634013 0.644098 1.523288
C -6.511684 -2.118590 -0.344695
C -1.351644 1.953880 0.585852
C -4.625132 0.563185 -0.846141
C -4.617329 0.178633 1.547390
C -3.361523 1.182987 -0.758086
C -3.352731 0.794299 1.650443
C -7.885786 -2.807668 -0.478922
H 6.637775 -1.437277 -1.292999
H -7.106636 -0.693943 1.189979
H -7.331878 -0.091991 -0.452661
H 5.450053 -0.349246 2.168938
H 6.362619 -2.555489 1.581640
H 7.382918 -3.237794 0.281715
H 5.598747 -3.240834 0.118409
H 7.851244 0.499039 -0.241827
H 8.702684 -1.046276 0.069281
H 7.735907 -0.280465 1.362515
H 1.491040 2.217023 1.650964
H 1.410253 2.584578 -0.108986
H 2.575380 0.881354 -1.731724
H 3.338050 0.926286 2.540002
H -5.990574 -2.123340 -1.323203
H -5.865212 -2.696022 0.343210
H -1.187269 2.678922 -0.229610
H -1.210218 2.456514 1.558159
H -5.106801 -0.208303 2.449618
H -2.898337 1.560826 -1.675391
H -2.858670 0.877585 2.624748
H -8.406062 -2.849989 0.496396
H -8.542533 -2.263741 -1.184702
H -7.779402 -3.843550 -0.848550
H 4.149711 -0.226504 -3.039022
H -6.087867 0.071642 -2.100335


