%chk=000224735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224735

0 1
S 3.235682 0.548005 2.063646
O 0.068655 1.761558 -1.492327
N 1.588239 0.415376 -0.449164
C -3.342718 -0.442751 -0.084671
C -4.689085 0.292912 -0.041399
C -2.196263 0.522624 -0.405597
C -5.842567 -0.667426 0.278133
C -0.846098 -0.207980 -0.442623
C -7.188071 0.069109 0.320701
C 0.251238 0.745731 -0.854787
C -8.344096 -0.889164 0.640434
C 2.615954 1.434818 -0.458315
C 1.941198 -0.865675 0.111344
C 3.460609 1.574684 0.657682
C 2.698814 -0.933167 1.294447
C -9.685590 -0.160799 0.683774
C 2.778062 2.287962 -1.561989
C 1.563536 -2.055537 -0.535083
C 4.463296 2.541798 0.680375
C 3.035071 -2.161219 1.861122
C 3.773914 3.267541 -1.528082
C 1.893210 -3.284601 0.041661
C 4.614478 3.396314 -0.417104
C 2.614253 -3.341545 1.239330
H -3.157629 -0.943377 0.885571
H -3.381855 -1.251143 -0.840159
H -4.652810 1.101930 0.714016
H -4.875261 0.795850 -1.010413
H -2.159437 1.338888 0.343587
H -2.373652 1.027045 -1.378935
H -5.880391 -1.475690 -0.477399
H -5.657803 -1.168828 1.247734
H -0.892411 -1.051909 -1.163170
H -0.638692 -0.665489 0.548063
H -7.152556 0.878190 1.075453
H -7.374945 0.571589 -0.647853
H -8.159975 -1.390490 1.610767
H -8.382629 -1.697897 -0.115340
H -9.917130 0.316326 -0.275332
H -9.694678 0.623329 1.449426
H -10.504458 -0.851921 0.912437
H 2.111296 2.203240 -2.423854
H 1.032015 -2.023419 -1.484661
H 5.123331 2.637308 1.543580
H 3.623797 -2.204938 2.779318
H 3.893621 3.937593 -2.379878
H 1.591484 -4.207918 -0.453576
H 5.388479 4.161534 -0.405210
H 2.861767 -4.305372 1.681321


%chk=000224735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224735

0 1
S 2.953897 0.719275 2.227464
O 0.098928 1.802008 -1.626477
N 1.601182 0.430395 -0.473565
C -3.360700 -0.446630 -0.238043
C -4.704099 0.284857 -0.018279
C -2.176849 0.522749 -0.447891
C -5.894727 -0.676230 0.199526
C -0.837942 -0.227809 -0.639283
C -7.238488 0.054132 0.420521
C 0.302682 0.740168 -0.973138
C -8.426997 -0.906972 0.653031
C 2.645583 1.436493 -0.485235
C 1.936273 -0.840355 0.125652
C 3.374079 1.670688 0.708010
C 2.574138 -0.868829 1.392274
C -9.765442 -0.168804 0.871692
C 2.958772 2.180116 -1.646966
C 1.698192 -2.059658 -0.554165
C 4.397807 2.640274 0.751291
C 2.910591 -2.097367 2.000179
C 3.967318 3.166528 -1.599346
C 2.013521 -3.290196 0.059842
C 4.685704 3.400471 -0.404065
C 2.611001 -3.311064 1.342300
H -3.156669 -1.103788 0.633472
H -3.449587 -1.116596 -1.119584
H -4.613816 0.960022 0.858178
H -4.913009 0.936968 -0.891691
H -2.093212 1.203097 0.422621
H -2.357086 1.165764 -1.328596
H -5.985271 -1.352666 -0.676422
H -5.684054 -1.327230 1.074078
H -0.951179 -0.944564 -1.478731
H -0.599177 -0.828822 0.255633
H -7.146445 0.737260 1.290968
H -7.455970 0.698251 -0.457188
H -8.208569 -1.548594 1.531238
H -8.517656 -1.590539 -0.216003
H -10.020487 0.456016 -0.005190
H -9.710121 0.498725 1.752501
H -10.598553 -0.876959 1.036029
H 2.392429 2.002756 -2.562797
H 1.265298 -2.035384 -1.559413
H 4.961817 2.795481 1.676738
H 3.410582 -2.101387 2.974239
H 4.192247 3.750217 -2.498086
H 1.808920 -4.227481 -0.467900
H 5.471816 4.162130 -0.370821
H 2.864528 -4.263917 1.818396


