%chk=000253477.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253477

0 1
S 0.646738 0.692916 0.039326
O 6.949371 -0.414750 -0.026271
C -3.268020 -0.535664 -0.015418
C -2.017942 0.357432 0.026235
C -4.551997 0.303153 0.026992
C -0.747946 -0.483338 -0.016466
C -5.804215 -0.584133 -0.013359
C 3.322846 0.473955 0.024492
C 2.091084 -0.421831 -0.017265
C 4.604781 -0.366111 -0.017834
C -7.085175 0.246025 0.028380
C 5.849712 0.520739 0.023051
H -3.256253 -1.158900 -0.930388
H -3.253865 -1.244572 0.834856
H -2.040777 1.069534 -0.824869
H -2.038276 0.983599 0.942471
H -4.565508 0.928826 0.940328
H -4.568529 1.013245 -0.822332
H -0.692588 -1.177261 0.841165
H -0.694820 -1.090250 -0.937856
H -5.793883 -1.208844 -0.927965
H -5.791018 -1.293191 0.837477
H 3.311459 1.185239 -0.828170
H 3.313813 1.099574 0.941881
H 2.067071 -1.118084 0.840239
H 2.064339 -1.031369 -0.938354
H 4.637000 -0.996680 -0.929579
H 4.639458 -1.081446 0.828903
H -7.149091 0.933307 -0.822956
H -7.145772 0.849752 0.941103
H -7.973545 -0.394781 -0.000288
H 5.916132 1.194684 -0.848735
H 5.920692 1.105020 0.956956
H 7.797823 0.063308 -0.003750


%chk=000253477-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253477

0 1
S 0.681534 1.001132 0.064144
O 7.070734 -0.693588 -0.043493
C -3.302444 -0.463509 -0.008491
C -2.095137 0.503833 0.031566
C -4.661879 0.271952 0.021681
C -0.749780 -0.241412 -0.005396
C -5.874072 -0.686886 -0.010541
C 3.461565 0.538911 0.029134
C 2.126202 -0.224053 -0.015294
C 4.672527 -0.422533 -0.023986
C -7.228611 0.054046 0.018180
C 6.007938 0.325645 0.019123
H -3.245352 -1.089107 -0.923740
H -3.245311 -1.161875 0.852491
H -2.151881 1.202511 -0.826728
H -2.147723 1.122151 0.949813
H -4.718538 0.902172 0.933729
H -4.722587 0.967518 -0.841249
H -0.651554 -0.923079 0.859268
H -0.647490 -0.826990 -0.937387
H -5.815616 -1.317719 -0.921127
H -5.812504 -1.380779 0.852714
H 3.504990 1.247600 -0.822014
H 3.503135 1.146824 0.955132
H 2.037757 -0.914196 0.843431
H 2.033332 -0.803011 -0.952146
H 4.639132 -1.028579 -0.949925
H 4.637246 -1.128749 0.827872
H -7.327960 0.731714 -0.850803
H -7.325135 0.667816 0.933721
H -8.078101 -0.653123 -0.005790
H 6.080318 1.025652 -0.842316
H 6.082983 0.917673 0.957817
H 7.955381 -0.248859 -0.017391


