%chk=000291509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291509

0 1
S -3.002719 1.639456 -1.219595
O 3.319084 2.273151 0.543549
O 1.536155 -1.969272 0.525789
O 3.746341 -1.536638 0.707202
O 2.244331 0.281421 2.699087
O -4.096305 2.543234 -1.510068
O -1.914008 1.471507 -2.157476
N -2.370722 2.244731 0.261208
C 2.199814 0.220371 -0.102834
C 1.857058 0.015394 -1.601517
C 3.071696 -0.433296 -2.421241
C 4.229833 0.565429 -2.309005
C 3.393392 1.228430 -0.049677
C 4.607063 0.818550 -0.846856
C 1.041539 0.763437 0.708881
C 2.634384 -1.145833 0.439603
C -0.111538 1.264259 0.105467
C 1.117581 0.828345 2.122552
C -1.167239 1.791762 0.876821
C 0.098510 1.389113 2.900709
C -1.051534 1.871215 2.277395
C 1.746505 -3.331907 1.016901
C 2.309690 -4.196603 -0.091916
C -3.625020 0.087861 -0.790473
C -5.005645 -0.080334 -0.635394
C -2.760970 -0.996496 -0.607064
C -5.523022 -1.332521 -0.293212
C -3.277276 -2.249673 -0.263243
C -4.657391 -2.416308 -0.106275
H 1.040484 -0.730317 -1.690767
H 1.450441 0.962264 -2.018654
H 3.407919 -1.437319 -2.093029
H 2.775347 -0.547498 -3.482529
H 3.955035 1.522679 -2.796152
H 5.112745 0.186731 -2.859548
H 5.388927 1.600754 -0.772215
H 5.051069 -0.097859 -0.389009
H -0.185738 1.284545 -0.992647
H 0.199347 1.448292 3.981517
H -1.851242 2.301914 2.876448
H -2.824632 3.044707 0.716915
H 2.408139 -3.288944 1.900896
H 0.717392 -3.607564 1.308662
H 2.335060 0.533558 3.648629
H 3.339999 -3.897883 -0.339549
H 1.717483 -4.112704 -1.011362
H 2.335565 -5.253679 0.196923
H -5.683755 0.768139 -0.788004
H -1.679341 -0.874256 -0.732545
H -6.597625 -1.464043 -0.174100
H -2.603615 -3.093249 -0.118671
H -5.060495 -3.394055 0.161472


%chk=000291509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291509

0 1
S -3.070880 1.128208 -1.700178
O 3.395463 2.153364 1.076866
O 1.283001 -1.852783 0.170529
O 3.581161 -1.772062 0.502149
O 1.822485 0.086939 2.591981
O -4.406671 1.843365 -2.298524
O -1.897796 0.517791 -2.649462
N -2.133652 2.540061 -0.565899
C 2.321698 0.301705 -0.147634
C 2.319642 0.359906 -1.725724
C 3.658475 -0.094585 -2.344168
C 4.824392 0.790634 -1.850820
C 3.551915 1.166533 0.317321
C 4.899346 0.818002 -0.295692
C 1.026633 0.848122 0.461496
C 2.507822 -1.186652 0.236276
C 0.029206 1.475949 -0.297343
C 0.830236 0.760255 1.871124
C -1.169548 1.967049 0.299958
C -0.325565 1.284599 2.492041
C -1.341685 1.858907 1.707648
C 1.311112 -3.322388 0.457035
C 1.617469 -4.117044 -0.814995
C -3.630373 -0.272445 -0.544758
C -4.978341 -0.284095 -0.147519
C -2.682009 -1.227238 -0.136251
C -5.400878 -1.325269 0.710837
C -3.125243 -2.253935 0.730468
C -4.475463 -2.301863 1.151100
H 1.473833 -0.242370 -2.104299
H 2.137665 1.410041 -2.026305
H 3.864083 -1.153879 -2.097166
H 3.579423 -0.032428 -3.446054
H 4.686422 1.823994 -2.226936
H 5.787133 0.424280 -2.252704
H 5.637677 1.558174 0.057250
H 5.189397 -0.186109 0.065860
H 0.124262 1.590035 -1.378491
H -0.444675 1.214904 3.580586
H -2.260612 2.225038 2.181319
H -2.939745 2.966128 -0.064685
H 2.061918 -3.509565 1.244198
H 0.298112 -3.528160 0.840735
H 1.707277 0.190869 3.567853
H 2.640670 -3.908407 -1.169367
H 0.901584 -3.869749 -1.617802
H 1.540941 -5.200274 -0.605763
H -5.670691 0.476731 -0.523651
H -1.645892 -1.182556 -0.487393
H -6.447762 -1.375039 1.028150
H -2.414941 -3.014576 1.072095
H -4.809935 -3.105112 1.816709


