%chk=000191056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191056

1 1
S 1.081728 2.116740 -0.850139
P 2.007999 0.516408 0.139227
O 3.344682 1.250408 0.703123
O 2.460714 -0.492060 -1.058138
O 1.081872 -0.162632 1.085226
N -2.290534 -0.837430 0.449293
C -1.609123 0.456706 -0.079803
C -0.896004 0.136612 -1.420117
C -3.286388 -1.386524 -0.574893
C -3.014493 -0.541298 1.772382
C -2.626382 1.599239 -0.198721
C -1.911798 -0.376342 -2.462201
C -2.640168 -1.618465 -1.943661
C -4.018550 0.605221 1.652018
C -3.345064 1.872455 1.123898
C -1.237391 -1.885157 0.752350
C -0.122080 1.321986 -1.989513
C 3.457940 1.433818 2.154523
C 3.684017 -0.230912 -1.818114
C 2.590244 2.579718 2.624496
C 4.912660 -0.592950 -1.015065
H -0.843045 0.732641 0.707388
H -0.164572 -0.703367 -1.237508
H -4.130221 -0.661717 -0.672327
H -3.724936 -2.334967 -0.190380
H -3.519105 -1.467373 2.128546
H -2.242664 -0.285557 2.540224
H -2.086243 2.519461 -0.517165
H -3.362655 1.403961 -1.003665
H -2.639012 0.417347 -2.726271
H -1.391837 -0.621806 -3.412016
H -1.947074 -2.485137 -1.910479
H -3.432372 -1.918476 -2.665816
H -4.876281 0.323690 1.007998
H -4.464987 0.798911 2.653017
H -2.632883 2.273794 1.874429
H -4.099985 2.674835 0.985034
H -0.448308 -1.482407 1.437904
H -1.668748 -2.786700 1.211324
H -0.686054 -2.191008 -0.157070
H 0.426765 1.014331 -2.906063
H -0.796487 2.149700 -2.296153
H 3.246246 0.482093 2.676839
H 4.542588 1.669975 2.225827
H 3.691911 0.814793 -2.177219
H 3.524310 -0.920569 -2.674941
H 2.939912 2.961209 3.596464
H 2.627101 3.431742 1.927742
H 1.537057 2.302700 2.758829
H 5.794565 -0.689750 -1.665678
H 5.164157 0.162331 -0.254284
H 4.794173 -1.555426 -0.496901


%chk=000191056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191056

1 1
S 0.987275 2.170060 -0.855237
P 2.072471 0.462899 0.256238
O 3.434182 1.282182 0.900729
O 2.681718 -0.564983 -0.970341
O 1.156642 -0.339450 1.289344
N -2.429215 -0.875983 0.437276
C -1.667379 0.387591 -0.115139
C -0.942108 -0.000119 -1.433597
C -3.435899 -1.405228 -0.602190
C -3.157796 -0.500797 1.753473
C -2.605904 1.606973 -0.228342
C -1.946089 -0.524539 -2.497883
C -2.777819 -1.712680 -1.959683
C -4.071780 0.725272 1.640559
C -3.296538 1.947118 1.109597
C -1.432559 -1.982286 0.808087
C -0.110603 1.152348 -2.042072
C 3.544442 1.513221 2.387595
C 3.785249 -0.118574 -1.901793
C 2.732301 2.730670 2.823364
C 5.156588 -0.484630 -1.342371
H -0.907990 0.590346 0.663769
H -0.226972 -0.811857 -1.196371
H -4.218085 -0.638244 -0.716267
H -3.896083 -2.307728 -0.162453
H -3.716090 -1.401270 2.064800
H -2.353300 -0.315329 2.487713
H -1.974951 2.459720 -0.537626
H -3.363857 1.471559 -1.022223
H -2.618752 0.295608 -2.814480
H -1.395747 -0.845934 -3.400742
H -2.150609 -2.620581 -1.893908
H -3.589954 -1.956117 -2.669079
H -4.950044 0.512806 1.002053
H -4.470913 0.925178 2.652094
H -2.534554 2.257341 1.851649
H -3.979514 2.803896 0.975579
H -0.567047 -1.530938 1.320208
H -1.951461 -2.706277 1.455774
H -1.078112 -2.493897 -0.095210
H 0.548403 0.750253 -2.827804
H -0.750577 1.932093 -2.492505
H 3.237192 0.592605 2.915338
H 4.627069 1.670670 2.515234
H 3.684180 0.967950 -2.088563
H 3.555264 -0.671547 -2.827441
H 2.937069 2.944819 3.888627
H 3.011844 3.621572 2.236451
H 1.646901 2.555161 2.716033
H 5.929758 -0.254050 -2.099229
H 5.382702 0.090309 -0.429782
H 5.212250 -1.562388 -1.115456


