%chk=000194870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194870

0 1
S 2.192864 -2.641774 1.377010
O -0.206584 0.391361 1.249366
O -1.582506 0.308817 -0.681295
O 0.563388 3.881150 -0.985303
O 2.681178 1.928851 -0.449042
O 1.616787 -1.312365 2.190305
O -3.378874 -1.147652 0.382987
O -1.780803 -0.386014 -3.095663
O -0.702094 -3.533028 0.272842
O -1.811763 5.052578 0.448207
O -1.342444 -3.305924 3.127662
O 1.190498 -2.122376 -2.506572
O 1.074274 0.119132 -2.674793
O 1.647527 -2.305827 -0.152117
O 3.609291 -2.627606 1.348134
O 1.370624 -3.722527 1.860036
N -2.177718 3.016668 -0.502602
C -1.026600 2.446163 0.214276
C 0.294761 2.549605 -0.598312
C 1.453473 1.979193 0.263356
C -1.296672 0.970779 0.580744
C 1.128499 0.526607 0.686962
C -1.244809 -1.082722 -0.799206
C 2.020043 0.017615 1.826355
C -2.401879 -1.963822 -0.270804
C -0.981197 -1.245350 -2.318525
C -1.915488 -2.951650 0.817607
C -2.443029 4.396654 -0.363469
C -1.622152 -2.283014 2.172143
C 0.508871 -0.940498 -2.552819
C -3.548104 4.923575 -1.222939
H -0.901866 3.021812 1.183600
H 0.231944 2.012727 -1.580905
H 1.686317 2.638580 1.130405
H -2.152569 0.776836 1.267913
H 1.185906 -0.149705 -0.201078
H -0.313461 -1.298874 -0.210206
H 3.094505 0.063012 1.560289
H 1.835843 0.573690 2.772752
H -2.524675 2.483285 -1.294160
H -2.906954 -2.515054 -1.098055
H -1.236715 -2.270072 -2.694379
H 0.410742 4.521706 -0.243323
H 2.530770 1.730946 -1.410089
H -2.645631 -3.784340 0.949613
H -0.791939 -1.550050 2.125123
H -2.534871 -1.784274 2.560949
H -3.643346 -0.409403 -0.222353
H -4.455884 4.306199 -1.192714
H -3.836035 5.936187 -0.888359
H -3.237614 5.018020 -2.274405
H -1.684196 0.554389 -2.777520
H -0.329763 -4.186147 0.939089
H -0.384775 -3.563363 3.082002
H 2.186625 -2.018052 -2.508224
H 0.806282 -2.812157 -0.437993


%chk=000194870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194870

0 1
S 2.303845 -2.759588 1.281627
O -0.160879 0.553960 1.378872
O -1.579039 0.455367 -0.623334
O 0.936296 4.209701 -0.421234
O 2.886608 2.314152 0.163615
O 1.660685 -1.325505 2.254794
O -3.367840 -1.033909 0.834169
O -2.165916 -0.734116 -2.974600
O -0.954880 -3.747102 0.064343
O -1.510072 5.337129 -0.517360
O -1.039000 -4.021014 2.702456
O 0.942171 -2.100132 -3.116025
O 0.720321 0.180325 -2.718944
O 1.376445 -2.688046 -0.227265
O 3.841349 -2.542801 0.899752
O 1.779804 -3.993651 2.182057
N -1.984526 3.077134 -0.702778
C -0.919298 2.643900 0.228698
C 0.520980 2.811169 -0.324372
C 1.524647 2.176849 0.660633
C -1.218935 1.176799 0.644432
C 1.227338 0.683994 0.835819
C -1.329475 -0.996436 -0.654699
C 2.131164 0.027689 1.876351
C -2.522367 -1.824862 -0.069566
C -1.133369 -1.365776 -2.150751
C -2.066052 -3.028584 0.780000
C -2.249082 4.397898 -0.976925
C -1.568137 -2.730942 2.211230
C 0.255476 -0.981746 -2.671354
C -3.461484 4.693207 -1.841455
H -0.992810 3.269706 1.142099
H 0.606517 2.317011 -1.312631
H 1.413736 2.695640 1.640082
H -2.086232 1.106347 1.322373
H 1.301436 0.173363 -0.142252
H -0.413407 -1.201343 -0.083242
H 3.178800 0.012814 1.523430
H 2.080821 0.569716 2.838815
H -2.483293 2.330573 -1.192081
H -3.139335 -2.191260 -0.915075
H -1.270814 -2.449222 -2.280770
H 0.127088 4.817747 -0.404527
H 2.964287 3.245225 -0.177438
H -2.901590 -3.749289 0.847115
H -0.799598 -1.935524 2.227392
H -2.415659 -2.426591 2.844504
H -3.844369 -0.361778 0.285678
H -3.969199 3.785923 -2.209793
H -4.182552 5.289710 -1.255691
H -3.152659 5.311118 -2.701162
H -2.051467 0.247245 -2.868197
H -0.786930 -4.535764 0.661240
H -0.057696 -3.955385 2.870516
H 1.871625 -1.859411 -3.382115
H 0.404526 -3.139138 -0.103954


