%chk=000187345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187345

0 1
S 0.030797 -0.286381 1.819976
S 0.964555 2.034042 0.132185
O -3.228564 -0.782989 2.882395
N -2.465425 0.573015 1.352088
N 2.272575 -0.255688 0.424498
N -3.377722 -0.294142 1.792761
C -2.649419 1.171837 -0.025788
C -1.276919 0.958976 2.125374
C 3.329975 0.250529 -0.508337
C 2.507395 -1.623305 0.979297
C -3.875656 2.087603 -0.019218
C -2.769600 0.062731 -1.071709
C 1.197922 0.491014 0.725110
C 4.409116 1.013075 0.251038
C 1.809600 -2.690248 0.143358
H -1.728955 1.783937 -0.245266
H -1.485714 0.913947 3.223251
H -0.933081 1.992117 1.881855
H 3.763266 -0.618655 -1.051494
H 2.865429 0.908558 -1.285388
H 3.607071 -1.808779 1.003203
H 2.179182 -1.674442 2.045366
H -3.996225 2.583062 -0.989606
H -4.801684 1.532681 0.181816
H -3.795626 2.870634 0.743608
H -1.903494 -0.610188 -1.045217
H -2.827686 0.485637 -2.081185
H -3.664728 -0.554394 -0.919631
H 3.992404 1.901327 0.752475
H 4.895349 0.403681 1.019892
H 5.187114 1.371813 -0.434225
H 0.717172 -2.561441 0.134655
H 2.141114 -2.681319 -0.901877
H 2.008162 -3.692143 0.545239


%chk=000187345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187345

0 1
S 0.030021 -0.489458 1.822623
S 0.865963 2.076207 0.175417
O -3.383158 -0.745640 3.088980
N -2.590075 0.400623 1.316673
N 2.344741 -0.205363 0.434969
N -3.606559 -0.369293 1.878183
C -2.755416 0.831689 -0.106886
C -1.399486 0.756234 2.062954
C 3.389980 0.401286 -0.439430
C 2.652296 -1.572724 0.945098
C -3.205090 2.310467 -0.168999
C -3.713696 -0.096557 -0.877148
C 1.202417 0.485889 0.729815
C 4.418596 1.219328 0.366708
C 2.151887 -2.688263 0.003455
H -1.741800 0.756192 -0.548332
H -1.614557 0.732837 3.140970
H -0.989507 1.722168 1.716030
H 3.881281 -0.427537 -0.982004
H 2.883484 1.050235 -1.173532
H 3.749745 -1.630623 1.063253
H 2.214943 -1.691396 1.951857
H -3.253945 2.640323 -1.222104
H -4.205998 2.428732 0.282884
H -2.493822 2.971809 0.356572
H -3.401054 -1.151787 -0.797638
H -3.705391 0.194626 -1.942751
H -4.745264 -0.018567 -0.497991
H 3.917270 2.057548 0.878961
H 4.931476 0.596665 1.122189
H 5.184773 1.634583 -0.312712
H 1.053510 -2.656330 -0.091738
H 2.594754 -2.591189 -1.004127
H 2.435381 -3.676612 0.408298


