%chk=000270125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270125

0 1
S -3.785967 -1.301070 -0.048051
O -3.980974 -1.874137 -1.559891
O -4.285507 -2.165074 1.250208
O 4.199534 0.702094 0.907770
O 6.973616 -0.717359 0.135428
O 2.878030 0.924450 -1.054390
N -4.543248 0.432433 -0.087016
N 2.061260 -0.011089 0.986589
C -5.832369 0.464225 -0.859046
C -6.052425 1.928220 -1.325030
C -7.055307 -0.061058 -0.057782
C -6.429503 2.865991 -0.153652
C -7.436191 0.881671 1.110642
C -7.661193 2.332982 0.619553
C -1.981223 -0.880772 0.239166
C -1.222814 -0.350003 -0.816768
C -1.444760 -1.143984 1.510192
C 0.135822 -0.051336 -0.594682
C -0.087386 -0.846937 1.729726
C 0.707385 -0.292873 0.687375
C 5.408491 1.221472 0.141833
C 6.278371 1.921516 1.197199
C 6.067591 0.098039 -0.587120
C 3.020688 0.566214 0.155953
C 7.488149 2.645640 0.567676
C 5.968377 -0.372918 -1.887518
C 6.839830 -1.522564 -1.999453
C 7.428327 -1.699834 -0.758410
H -5.659921 -0.175214 -1.745877
H -5.141297 2.285586 -1.837370
H -6.875491 1.921903 -2.068503
H -6.848278 -1.082471 0.314424
H -7.914070 -0.137259 -0.754384
H -6.631813 3.883050 -0.540225
H -5.566787 2.959724 0.537522
H -6.638248 0.873739 1.884448
H -8.344795 0.499414 1.613132
H -7.892588 2.995144 1.476205
H -8.545969 2.354062 -0.050160
H -4.686165 0.657503 0.919340
H -1.678168 -0.181620 -1.797413
H -2.071232 -1.587575 2.290662
H 0.755436 0.363892 -1.391238
H 0.357147 -1.045232 2.712129
H 5.022023 1.936468 -0.606766
H 6.625423 1.172379 1.930938
H 5.638837 2.643862 1.736694
H 2.395135 -0.236167 1.926641
H 7.166951 3.409843 -0.164643
H 8.078743 3.155214 1.349355
H 8.155561 1.934605 0.049755
H 5.329434 0.048694 -2.660795
H 7.004802 -2.135478 -2.883158
H 8.141525 -2.411803 -0.352314


%chk=000270125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270125

0 1
S -3.762776 -1.274985 0.089705
O -3.945461 -1.944977 -1.383497
O -4.270801 -2.060550 1.433991
O 4.236910 0.700894 0.968440
O 6.938524 -0.750044 -0.007672
O 2.869504 1.015669 -0.930336
N -4.521167 0.450980 -0.069925
N 2.093102 0.012733 1.076456
C -5.792868 0.428974 -0.869589
C -6.031714 1.870407 -1.394300
C -7.023676 -0.096830 -0.080808
C -6.483263 2.842469 -0.278829
C -7.466265 0.881025 1.034744
C -7.724154 2.300506 0.472839
C -1.960763 -0.835898 0.368652
C -1.221503 -0.262945 -0.679149
C -1.403873 -1.139075 1.621717
C 0.138970 0.034283 -0.467922
C -0.043856 -0.845369 1.829456
C 0.732982 -0.255045 0.793651
C 5.431434 1.225397 0.182717
C 6.367167 1.832088 1.239198
C 6.021597 0.127210 -0.638536
C 3.037164 0.610943 0.247287
C 7.575799 2.551251 0.601780
C 5.844291 -0.269090 -1.955397
C 6.675844 -1.432954 -2.173070
C 7.319903 -1.693387 -0.974934
H -5.586447 -0.237275 -1.728793
H -5.110204 2.234217 -1.883214
H -6.822226 1.813712 -2.170335
H -6.799453 -1.095692 0.339512
H -7.858430 -0.228266 -0.798304
H -6.705767 3.833529 -0.718523
H -5.652306 3.000251 0.439665
H -6.689202 0.934499 1.827857
H -8.375042 0.490581 1.530514
H -8.010337 2.990774 1.289769
H -8.583198 2.259903 -0.229013
H -4.684962 0.738866 0.917037
H -1.692737 -0.056877 -1.644799
H -2.019437 -1.605220 2.397739
H 0.743572 0.482767 -1.258100
H 0.416853 -1.075366 2.797431
H 5.039812 1.996737 -0.504697
H 6.716279 1.029685 1.913067
H 5.776170 2.542327 1.845960
H 2.446840 -0.252781 1.998630
H 7.252466 3.355735 -0.085048
H 8.205480 3.009369 1.384782
H 8.205514 1.846448 0.030967
H 5.177993 0.210042 -2.669754
H 6.778916 -2.000550 -3.095571
H 8.031603 -2.444897 -0.644549


