%chk=000282440.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282440

0 1
S 4.949619 1.552850 -0.132691
O 6.058031 1.897939 -1.001351
O 4.908674 2.082635 1.204217
N 2.387519 1.781805 -0.608941
N 3.599427 2.218650 -1.029859
C -2.636751 0.695811 -0.136528
C -1.550572 -0.194852 -0.459080
C -3.947046 0.219338 -0.238339
C -1.766073 -1.568250 -0.592195
C -2.287083 2.067242 0.269885
C -4.185618 -1.185680 -0.368781
C -3.091901 -2.085890 -0.495853
C -1.008560 2.596350 -0.040612
C -0.243655 0.382291 -0.737480
C -0.003172 1.711510 -0.625225
C -5.121636 1.146757 -0.270817
C -0.620643 -2.494185 -0.863853
C -3.159160 2.867235 1.044033
C -5.518134 -1.729910 -0.350953
C -3.362012 -3.497762 -0.558642
C -0.690704 3.928979 0.303166
C -5.741451 -3.077043 -0.421669
C -4.639896 -3.981225 -0.521379
C -2.831622 4.171508 1.388506
C 1.281648 2.290985 -1.076892
C -1.599315 4.718086 0.993305
C 4.693242 -0.140248 -0.129801
C 5.439040 -0.959751 -0.988764
C 3.748795 -0.711896 0.731273
C 4.298581 -2.916783 -0.118879
C 5.246670 -2.338808 -0.985091
C 3.550065 -2.093614 0.737862
C 4.104816 -4.395646 -0.115033
H 0.542952 -0.286353 -1.092540
H -5.445178 1.426877 0.743679
H -4.885530 2.074506 -0.815655
H -5.991688 0.707050 -0.779964
H -0.879530 -3.550633 -0.697495
H -0.287774 -2.407177 -1.908933
H 0.241747 -2.276403 -0.217670
H -4.096518 2.447205 1.413717
H -6.358530 -1.037729 -0.272500
H -2.511181 -4.178978 -0.634597
H 0.287910 4.334218 0.046957
H -6.751113 -3.482716 -0.400980
H -4.841537 -5.049639 -0.566704
H -3.523613 4.771775 1.976916
H 1.188222 3.112916 -1.798159
H -1.353226 5.746377 1.251116
H 3.706361 2.998202 -1.693241
H 6.180750 -0.513257 -1.663009
H 3.158935 -0.075470 1.402873
H 5.831299 -2.971126 -1.650597
H 2.816258 -2.529078 1.413758
H 3.259528 -4.717836 0.508008
H 3.925623 -4.785548 -1.127997
H 4.999609 -4.909311 0.271074


%chk=000282440-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282440

0 1
S 4.930926 1.004192 0.719259
O 6.327239 1.720936 0.292197
O 4.475322 0.864704 2.275716
N 2.344818 1.602921 -0.073177
N 3.619115 2.004206 -0.342015
C -2.764333 0.882076 -0.097685
C -1.617794 0.017054 0.171152
C -4.012452 0.279160 -0.415583
C -1.768326 -1.386692 0.373181
C -2.534416 2.342493 -0.037271
C -4.186080 -1.132879 -0.183853
C -3.074432 -1.965307 0.265650
C -1.192770 2.877347 -0.078866
C -0.299177 0.594672 0.131567
C -0.057670 1.948687 -0.070263
C -5.148113 1.031468 -1.101185
C -0.537429 -2.229002 0.676086
C -3.604686 3.266338 0.171840
C -5.472754 -1.754944 -0.360774
C -3.332248 -3.358803 0.531507
C -1.002746 4.291536 -0.031800
C -5.680885 -3.107178 -0.095059
C -4.595532 -3.919535 0.359918
C -3.394687 4.653191 0.230830
C 1.320650 2.426947 -0.229060
C -2.084099 5.175271 0.097669
C 4.783064 -0.679086 -0.090297
C 5.499709 -0.912198 -1.275269
C 3.979224 -1.642297 0.536161
C 4.588041 -3.205801 -1.273385
C 5.392938 -2.191057 -1.860504
C 3.889494 -2.914572 -0.072804
C 4.497910 -4.578061 -1.915136
H 0.574137 -0.057828 0.201533
H -5.977946 1.296950 -0.416444
H -4.790244 1.958231 -1.573308
H -5.579245 0.404749 -1.901723
H -0.787555 -3.267960 0.931509
H 0.145993 -2.264927 -0.194639
H 0.036049 -1.811023 1.523270
H -4.612232 2.887754 0.348739
H -6.321897 -1.146199 -0.682762
H -2.520688 -4.000374 0.884189
H 0.008634 4.707835 -0.054621
H -6.676102 -3.546750 -0.223514
H -4.760491 -4.980564 0.576884
H -4.241877 5.325931 0.402268
H 1.487805 3.472792 -0.541218
H -1.910912 6.256063 0.137735
H 3.874658 3.015236 -0.238679
H 6.125187 -0.127393 -1.712034
H 3.458962 -1.406852 1.469845
H 5.942037 -2.404785 -2.784845
H 3.269765 -3.689119 0.393161
H 3.739864 -5.209485 -1.422138
H 4.235842 -4.503890 -2.986304
H 5.467336 -5.107886 -1.854056


