%chk=000112585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112585

1 1
S 4.284360 -0.797510 0.639231
O 4.739432 1.811172 -0.634571
O 5.269719 -1.149807 -0.673666
O 5.160721 -0.239401 1.622202
O 3.576235 -2.044234 0.911684
N 0.376655 -4.786653 0.372080
N -5.033404 3.472744 0.036104
C -0.586070 -0.002317 -0.642531
C -1.841991 -3.430110 -0.079179
C -0.903077 -4.530596 0.313642
C 0.778453 0.570727 -0.630496
C -1.713337 0.914708 -0.491978
C -0.687268 -1.358123 -0.750164
C -1.855838 -2.148959 -0.480191
C -2.941062 -4.369138 0.308935
C -2.093666 -5.359793 0.682798
C 1.792655 -0.145351 0.007127
C 3.131616 0.269190 -0.031856
C 1.099300 1.799302 -1.259102
C -2.814510 0.856589 -1.370518
C -1.713886 1.893732 0.523740
C -3.905702 2.691407 -0.190402
C 3.424566 1.489502 -0.667188
C -3.883483 1.725331 -1.239346
C -2.779164 2.762047 0.681194
C 2.404592 2.263018 -1.272665
C 1.448223 -3.886780 -0.088572
C 0.861859 -6.079329 0.918635
C -6.079072 3.589525 -1.008658
C -4.960160 4.636343 0.952204
C 5.185097 3.059565 -1.238277
H 0.212516 -1.932298 -1.014583
H -2.835252 -1.648187 -0.573626
H -4.002510 -4.233675 0.277871
H -2.176347 -6.346095 1.076322
H 1.542428 -1.064787 0.558405
H 0.301910 2.377568 -1.739286
H -2.812350 0.128524 -2.184829
H -0.860954 1.959852 1.203356
H -4.710737 1.664912 -1.943258
H -2.755143 3.496725 1.483760
H 2.642152 3.210101 -1.754169
H 1.068377 -3.056201 -0.721372
H 2.208282 -4.430834 -0.684198
H 2.011695 -3.425063 0.766858
H 1.132438 -6.775664 0.099374
H 0.113444 -6.581519 1.559324
H 1.769141 -5.925674 1.540683
H -5.750175 4.190723 -1.873559
H -6.985145 4.060116 -0.587504
H -6.378765 2.588276 -1.367485
H -5.977287 4.992015 1.194635
H -4.393533 5.480206 0.523013
H -4.489551 4.344876 1.908979
H 6.229068 -1.091402 -0.515375
H 4.999950 3.043826 -2.316190
H 6.264545 3.027723 -1.020285
H 4.713008 3.911258 -0.739578


%chk=000112585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112585

1 1
S 4.481261 -0.907500 0.792490
O 4.929514 1.729804 -0.669490
O 5.488428 -1.167139 -0.723364
O 5.387834 -0.295024 1.971898
O 3.703535 -2.316600 0.987339
N 0.343951 -5.010864 0.026756
N -5.094785 3.687891 -0.320248
C -0.574456 0.134270 -0.238329
C -1.826155 -3.448777 0.292147
C -0.902388 -4.682114 0.329886
C 0.813608 0.679279 -0.262005
C -1.724643 1.045640 -0.273725
C -0.671815 -1.266968 -0.199844
C -1.808109 -2.076853 0.112509
C -2.860885 -4.370183 0.803797
C -2.017028 -5.491460 0.873560
C 1.868692 -0.085318 0.308885
C 3.192758 0.300945 0.134202
C 1.175508 1.889831 -0.917985
C -2.914999 0.729318 -1.000369
C -1.706116 2.297092 0.419325
C -4.003929 2.833453 -0.306367
C 3.568624 1.487240 -0.538863
C -4.016933 1.590431 -1.029514
C -2.806522 3.159891 0.419948
C 2.520240 2.297583 -1.047529
C 1.337986 -4.117979 -0.632322
C 0.863200 -6.374028 0.334610
C -6.316241 3.324365 -1.061077
C -5.040414 4.976106 0.395057
C 5.364442 3.017104 -1.250348
H 0.266266 -1.805482 -0.342058
H -2.762438 -1.571349 0.313420
H -3.913555 -4.218314 1.050020
H -2.140941 -6.529456 1.169844
H 1.660348 -0.988149 0.889336
H 0.392418 2.502336 -1.375984
H -2.942745 -0.183086 -1.606940
H -0.821791 2.572008 1.005398
H -4.883757 1.316264 -1.636189
H -2.746759 4.088111 0.993628
H 2.751418 3.225202 -1.578663
H 0.827669 -3.404031 -1.291846
H 2.005061 -4.743467 -1.246822
H 1.960871 -3.587616 0.113089
H 1.030098 -6.926708 -0.605836
H 0.158193 -6.925824 0.969959
H 1.823998 -6.271211 0.866140
H -6.122682 3.230678 -2.147679
H -7.076146 4.106727 -0.918741
H -6.740430 2.368611 -0.697817
H -5.985814 5.517619 0.244182
H -4.218392 5.615008 0.018647
H -4.900167 4.831831 1.484010
H 5.975605 -0.301373 -0.874018
H 5.055509 3.090070 -2.308620
H 6.460154 3.004837 -1.175718
H 4.956840 3.859433 -0.664276


