%chk=000191413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191413

0 1
S -0.128676 -3.102924 -0.589070
S -4.270905 -0.795147 0.443140
O 0.935384 1.023414 0.918930
O -2.618791 1.488778 -1.625241
O 4.333103 -2.035040 0.697789
O -2.186986 1.547993 0.585312
O 6.537169 -1.826221 -0.890434
O -5.064466 1.351449 -1.363076
N -0.070821 -0.388466 -0.767077
N 3.095073 -0.769080 -0.753301
N -5.992706 1.018750 -0.594722
C 0.719845 -1.599222 -1.140282
C 1.828337 -1.142913 -0.148012
C 0.890962 0.069473 0.219373
C -1.481769 -0.366551 -0.783063
C -2.264315 -1.429132 -1.100557
C -1.751059 -2.806176 -1.352531
C -3.741274 -1.252247 -1.241761
C 4.301447 -1.264483 -0.241975
C -2.103705 0.971559 -0.466610
C 5.584364 -0.774804 -0.954093
C 6.093994 0.488209 -0.297416
C -5.842933 -0.059069 0.268842
C 6.487186 1.569365 -1.097506
C 6.199213 0.573833 1.098246
C -6.892508 -0.469384 1.094485
C 6.976276 2.735260 -0.500717
C 6.689427 1.740899 1.689281
C 7.076918 2.822711 0.891356
C -7.207469 1.693506 -0.627828
C -8.107340 0.216842 1.069733
C -8.255074 1.306458 0.203711
H 0.984242 -1.637414 -2.214429
H 1.991005 -1.827150 0.728805
H -1.699897 -3.007565 -2.444215
H -2.430758 -3.575270 -0.919232
H 3.068927 -0.078862 -1.498805
H -3.981895 -0.423179 -1.959924
H -4.270857 -2.150732 -1.597921
H 5.438598 -0.657804 -2.055860
H -3.232096 2.269048 -1.459525
H 6.673399 -2.118121 0.049090
H 6.423669 1.504691 -2.182617
H 5.892573 -0.266564 1.725247
H -6.750729 -1.328805 1.757813
H 7.281028 3.575899 -1.122653
H 6.766754 1.807834 2.774144
H 7.456518 3.732632 1.354425
H -7.287813 2.535320 -1.323595
H -8.928549 -0.090053 1.715747
H -9.194517 1.863458 0.169280


%chk=000191413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191413

0 1
S -0.120123 -2.832850 -0.562356
S -4.492368 -1.162701 0.187006
O 1.365439 1.440887 1.244920
O -2.465812 2.223204 -0.599285
O 4.139595 -2.564873 1.236085
O -1.749601 1.531863 1.511305
O 6.722126 -2.087489 0.751245
O -5.184911 1.776052 -0.147334
N 0.129040 -0.071359 -0.244026
N 3.370754 -0.795042 -0.077108
N -6.257064 0.979232 -0.134450
C 0.888160 -1.255451 -0.723308
C 1.992727 -0.922216 0.339496
C 1.180227 0.392929 0.613886
C -1.231629 0.178666 -0.454880
C -2.026665 -0.723351 -1.138984
C -1.509755 -2.067937 -1.629380
C -3.491141 -0.474593 -1.351751
C 4.357363 -1.625983 0.409774
C -1.815663 1.363435 0.278253
C 5.801253 -1.408342 -0.141258
C 6.169370 0.061778 -0.295822
C -6.127125 -0.423642 -0.050851
C 6.012037 0.709170 -1.547006
C 6.637123 0.801725 0.817579
C -7.287530 -1.224231 -0.039416
C 6.297288 2.088540 -1.679881
C 6.925092 2.176530 0.683379
C 6.749339 2.826013 -0.562405
C -7.528740 1.542484 -0.211970
C -8.576529 -0.654113 -0.092310
C -8.682481 0.754973 -0.183927
H 1.217919 -1.151160 -1.770675
H 1.948543 -1.612741 1.201426
H -1.120269 -2.006878 -2.662280
H -2.322056 -2.814145 -1.615250
H 3.658877 0.020518 -0.627047
H -3.749874 0.591684 -1.401283
H -3.881151 -1.025930 -2.221451
H 5.816543 -1.893219 -1.144286
H -3.099931 2.812728 -0.106823
H 6.174077 -2.729474 1.289767
H 5.698881 0.131186 -2.426975
H 6.792263 0.283423 1.769001
H -7.150782 -2.307708 0.011278
H 6.179542 2.579972 -2.652051
H 7.287553 2.743650 1.547857
H 6.973024 3.893801 -0.662438
H -7.524030 2.631078 -0.281848
H -9.466697 -1.287957 -0.074187
H -9.654726 1.252866 -0.237253


