%chk=000211946.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211946

1 1
S 1.515037 1.775938 1.915311
F -2.262512 -3.760427 2.501459
O 0.343150 1.547003 -1.251699
N -2.623782 0.771884 -0.726311
C -1.689515 0.303136 -1.841676
C -3.747527 -0.260346 -0.523309
C -1.849291 0.957999 0.554964
C -3.275439 2.086964 -1.103028
C -0.628021 1.333878 -2.270786
C 1.461387 0.589352 -1.215863
C -3.244921 -1.657100 -0.259470
C 2.748377 1.376183 -1.161908
C 1.258855 -0.297858 -0.010629
C 2.928699 2.469610 -0.295953
C -2.965611 -2.058780 1.054330
C -3.110408 -2.563211 -1.320859
C 1.296258 0.142782 1.312890
C 1.805138 2.939165 0.560376
C 3.809335 0.957604 -1.980451
C 1.049698 -1.672048 -0.260073
C 4.169844 3.124402 -0.252209
C -2.537730 -3.374294 1.258791
C -2.685532 -3.876275 -1.077954
C 1.129289 -0.767259 2.376107
C 5.039544 1.615544 -1.934010
C 5.220372 2.698427 -1.066695
C 0.878365 -2.572397 0.785583
C -2.386781 -4.298680 0.218346
C 0.920484 -2.116644 2.112855
H -1.164880 -0.623959 -1.488694
H -2.297618 0.007791 -2.726617
H -4.413530 -0.254639 -1.420672
H -4.393726 0.076942 0.325825
H -0.981460 1.646965 0.404623
H -2.470854 1.362322 1.368545
H -1.396307 0.006598 0.904086
H -3.806901 2.023903 -2.069102
H -4.005398 2.415323 -0.339182
H -2.525258 2.899449 -1.188346
H -0.151380 1.001714 -3.216137
H -1.043915 2.349974 -2.427434
H 1.426624 -0.011395 -2.158081
H -3.094740 -1.382888 1.900013
H -3.358099 -2.269344 -2.339809
H 2.024521 3.910721 1.059264
H 0.883130 3.105079 -0.038019
H 3.684355 0.109400 -2.653056
H 1.050733 -2.041408 -1.285762
H 4.319663 3.966018 0.424750
H -2.594365 -4.579539 -1.910822
H 1.183666 -0.424844 3.414687
H 5.860421 1.283649 -2.570480
H 6.183727 3.209699 -1.025550
H 0.732782 -3.633124 0.581364
H -2.061040 -5.323743 0.414893
H 0.804287 -2.824316 2.936283


%chk=000211946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211946

1 1
S 1.393833 1.679513 2.030786
F -2.356516 -3.652309 2.780072
O 0.396229 1.609687 -1.460188
N -2.643699 0.788232 -0.753163
C -1.678727 0.174704 -1.791919
C -3.824537 -0.223126 -0.479346
C -1.908593 1.094030 0.552569
C -3.272566 2.073502 -1.279616
C -0.618017 1.124689 -2.388429
C 1.599623 0.698870 -1.284310
C -3.408124 -1.636420 -0.137553
C 2.862109 1.537494 -1.155760
C 1.391159 -0.303150 -0.150534
C 3.005295 2.566360 -0.179770
C -3.068387 -1.990236 1.194023
C -3.416073 -2.640968 -1.142151
C 1.338146 0.021605 1.237880
C 1.839061 2.962143 0.682229
C 3.958397 1.219126 -1.992105
C 1.294057 -1.675659 -0.519338
C 4.245195 3.237614 -0.059369
C -2.709781 -3.320211 1.466141
C -3.068975 -3.974293 -0.829600
C 1.185910 -1.019181 2.195965
C 5.191249 1.896943 -1.867531
C 5.336399 2.909160 -0.893928
C 1.132293 -2.703127 0.430055
C -2.701904 -4.328934 0.487366
C 1.074949 -2.366602 1.803025
H -1.197645 -0.684600 -1.299613
H -2.316881 -0.199399 -2.614100
H -4.435841 -0.204385 -1.397891
H -4.399328 0.243941 0.338979
H -1.075724 1.777023 0.339481
H -2.622762 1.546866 1.258648
H -1.497708 0.161454 0.961221
H -3.680908 1.897605 -2.287095
H -4.083150 2.375048 -0.597999
H -2.514106 2.868107 -1.311777
H -0.148751 0.563987 -3.225264
H -1.079440 2.027277 -2.826637
H 1.684271 0.117684 -2.224764
H -3.096519 -1.268211 2.016463
H -3.717937 -2.390223 -2.165965
H 2.062778 3.853204 1.290709
H 0.934360 3.135991 0.084241
H 3.854376 0.427482 -2.744306
H 1.374383 -1.938674 -1.582591
H 4.355125 4.027192 0.692837
H -3.093398 -4.742782 -1.607904
H 1.169999 -0.763867 3.261720
H 6.028222 1.637155 -2.523502
H 6.287291 3.441136 -0.787663
H 1.072215 -3.748001 0.109480
H -2.435094 -5.354521 0.757546
H 0.965368 -3.145042 2.564944


