%chk=000192123.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192123

0 1
S 1.795840 4.378516 0.264189
O 4.560080 -0.572199 0.902474
O -5.036900 -0.080526 0.300313
O -0.826040 4.699098 0.145604
N -0.068838 2.495985 0.303602
C 7.507456 -2.371960 -0.510781
C -7.197047 -2.996540 -0.567153
C 6.584916 -1.656933 0.497444
C -6.705850 -1.697089 0.101937
C 5.487856 -0.857341 -0.197000
C -5.208932 -1.479633 -0.095455
C 8.439272 -3.334866 0.235657
C 8.321726 -1.366180 -1.332998
C -8.730122 -3.043444 -0.541336
C -6.610733 -4.235253 0.120834
C 3.453283 0.189640 0.640728
C -3.772415 0.454367 0.258855
C 1.144539 1.701868 0.414841
C -1.342219 1.807470 0.284059
C 2.666073 0.424842 1.792362
C -2.610827 -0.222151 -0.130406
C 3.091094 0.695418 -0.615879
C -3.735966 1.808642 0.659482
C 1.512169 1.183864 1.675046
C -1.393101 0.464496 -0.119939
C 1.924356 1.456188 -0.724295
C -2.523165 2.479741 0.672463
C 0.051603 3.877656 0.223544
H 6.873450 -2.971894 -1.211356
H -6.865574 -2.994725 -1.636175
H 7.173636 -0.994750 1.162086
H 6.114715 -2.398585 1.177904
H -7.252908 -0.823115 -0.311857
H -6.948742 -1.698431 1.182351
H 4.947667 -1.438697 -0.962503
H 5.846434 0.099451 -0.610474
H -4.893111 -1.585137 -1.146732
H -4.590930 -2.109958 0.564385
H 9.083650 -2.807107 0.947721
H 9.095580 -3.870525 -0.459345
H 7.876094 -4.087627 0.797890
H 8.931280 -0.718740 -0.692342
H 7.680035 -0.719098 -1.938496
H 9.006915 -1.877743 -2.018745
H -9.119621 -3.036771 0.482784
H -9.107813 -3.950318 -1.026309
H -9.168513 -2.186731 -1.064724
H -6.869571 -4.266942 1.185238
H -5.519461 -4.263730 0.047115
H -6.992083 -5.157524 -0.331860
H 2.984318 0.011500 2.747862
H -2.633656 -1.261193 -0.441495
H 3.695744 0.514007 -1.498283
H -4.661318 2.303882 0.949989
H 0.888858 1.383996 2.548673
H -0.486907 -0.059108 -0.427289
H 1.625367 1.857491 -1.694796
H -2.488597 3.533045 0.971895
H 1.545257 5.710000 0.185296


%chk=000192123-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192123

0 1
S 1.904913 4.600085 0.427176
O 4.481347 -0.690660 1.019685
O -5.129006 0.077611 0.202998
O -0.805831 4.876964 0.030877
N -0.046703 2.653419 0.312535
C 7.466303 -2.474674 -0.586958
C -7.079223 -3.130407 -0.549949
C 6.492016 -1.909524 0.481964
C -6.733657 -1.705467 -0.039774
C 5.398119 -1.009222 -0.096514
C -5.251765 -1.344584 -0.171705
C 8.451550 -3.467266 0.074305
C 8.240839 -1.356672 -1.328465
C -8.608792 -3.354784 -0.486849
C -6.337195 -4.237237 0.239731
C 3.388173 0.140152 0.758607
C -3.847285 0.647482 0.196125
C 1.127411 1.806856 0.461302
C -1.347820 2.006338 0.259672
C 2.563144 0.426777 1.878861
C -2.657758 -0.036791 -0.152686
C 3.074545 0.683110 -0.514225
C -3.778315 2.011103 0.573326
C 1.440469 1.256271 1.729087
C -1.421794 0.643784 -0.120257
C 1.939023 1.510233 -0.654364
C -2.547769 2.687340 0.608246
C 0.105575 4.035981 0.216108
H 6.866375 -3.035000 -1.336400
H -6.767227 -3.198462 -1.614823
H 7.063985 -1.341536 1.241566
H 6.000170 -2.748757 1.010547
H -7.319101 -0.959195 -0.610789
H -7.035895 -1.607008 1.021533
H 4.834934 -1.532605 -0.898195
H 5.812472 -0.066515 -0.505978
H -4.900456 -1.485588 -1.216399
H -4.618483 -1.955851 0.502622
H 9.072473 -2.952521 0.832728
H 9.132945 -3.910522 -0.675040
H 7.915876 -4.292626 0.578929
H 8.800910 -0.728542 -0.608808
H 7.571666 -0.694387 -1.907802
H 8.970939 -1.789892 -2.036622
H -8.967230 -3.303284 0.559303
H -8.882718 -4.347541 -0.889252
H -9.152933 -2.588029 -1.069057
H -6.567458 -4.165024 1.320404
H -5.239847 -4.173126 0.121753
H -6.649796 -5.240331 -0.104993
H 2.829163 -0.002727 2.849073
H -2.673194 -1.088560 -0.452208
H 3.695857 0.474229 -1.389118
H -4.705126 2.528455 0.839231
H 0.802469 1.487250 2.588061
H -0.511213 0.101044 -0.389047
H 1.686685 1.937921 -1.630067
H -2.519587 3.741179 0.886403
H 1.521132 5.929933 0.350190


