%chk=000184955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184955

0 1
S -5.177033 -0.538738 0.761116
O 1.666310 0.568842 -1.708421
N 1.209311 1.646194 0.231805
N 0.847094 3.858525 0.630894
C 3.048847 -1.368932 0.338645
C 1.563717 -0.859116 0.263123
C 0.609933 -1.863346 -0.413556
C 3.558998 -1.794571 -1.043881
C 3.103319 -2.562736 1.308440
C 3.930025 -0.232174 0.887190
C 1.499483 0.444532 -0.515928
C -0.828810 -1.515931 -0.142547
C -1.486236 -2.048308 0.978099
C -1.519199 -0.651353 -1.004548
C 0.923377 1.790606 1.619404
C 1.141678 2.969848 -0.319568
C -2.816752 -1.715249 1.238496
C -2.853377 -0.319088 -0.752127
C -3.492134 -0.850062 0.369312
C 0.707830 3.138013 1.838821
C -5.567959 1.036781 -0.028267
H 1.212935 -0.708793 1.316883
H 0.804717 -1.895136 -1.508691
H 0.837554 -2.888767 -0.051154
H 4.637922 -1.983968 -1.030720
H 3.376516 -1.018881 -1.802417
H 3.076981 -2.710273 -1.400291
H 4.115477 -2.981778 1.356837
H 2.435762 -3.373903 0.995348
H 2.824305 -2.278161 2.327908
H 4.038279 0.591095 0.171239
H 3.538202 0.188266 1.818731
H 4.944662 -0.589461 1.101199
H -0.959572 -2.723384 1.650161
H -1.015821 -0.235572 -1.878713
H 0.890430 0.953448 2.290255
H 1.317419 3.156615 -1.371808
H -3.317645 -2.128224 2.115235
H -3.376367 0.347044 -1.436884
H 0.465079 3.652435 2.753335
H -5.642803 0.945799 -1.117229
H -4.837022 1.816330 0.216222
H -6.546729 1.359531 0.354752


%chk=000184955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184955

0 1
S -5.290366 -0.306514 0.979879
O 1.573687 0.647447 -1.654194
N 1.286871 1.667792 0.408171
N 1.071590 3.890001 0.860556
C 3.089547 -1.381446 0.272118
C 1.586616 -0.859185 0.279041
C 0.570949 -1.832169 -0.406156
C 3.530059 -1.845971 -1.139693
C 3.200230 -2.565407 1.271875
C 4.034486 -0.245742 0.756499
C 1.482589 0.503205 -0.407487
C -0.875787 -1.461780 -0.109524
C -1.512943 -1.910096 1.078157
C -1.619792 -0.637157 -0.988675
C 1.066926 1.782803 1.804147
C 1.275778 2.987669 -0.103077
C -2.840164 -1.546750 1.379951
C -2.951459 -0.263624 -0.697765
C -3.570452 -0.714807 0.491231
C 0.935960 3.139474 2.056623
C -5.841475 0.843227 -0.395906
H 1.297112 -0.761948 1.341272
H 0.755563 -1.815537 -1.494380
H 0.774959 -2.856648 -0.045797
H 4.602918 -2.114554 -1.125004
H 3.379573 -1.050187 -1.889312
H 2.967009 -2.737743 -1.468577
H 4.238456 -2.945194 1.289546
H 2.545514 -3.410952 0.994035
H 2.939107 -2.249975 2.300192
H 4.071342 0.593056 0.037545
H 3.721174 0.157480 1.738077
H 5.063843 -0.634150 0.864984
H -0.968554 -2.563276 1.772522
H -1.154505 -0.281147 -1.915803
H 0.995879 0.925631 2.464479
H 1.423170 3.186777 -1.160316
H -3.311675 -1.910101 2.300340
H -3.489568 0.373598 -1.406216
H 0.749997 3.633561 3.007285
H -5.852332 0.319362 -1.364501
H -5.196570 1.734844 -0.439278
H -6.866563 1.144132 -0.130167


