%chk=000209816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209816

0 1
S -1.291870 1.017268 1.379437
O -1.177862 -1.679375 -2.005822
O -5.578562 -0.274341 -0.236173
O -4.627054 -0.598231 1.767823
O 2.439659 -2.306348 0.580279
N -2.265670 -1.063827 0.055056
N 0.999506 -0.588607 0.147231
C -1.337440 -0.795991 1.197771
C -2.639918 1.385939 0.140262
C -3.244839 -0.006152 -0.224962
C -0.169692 -1.410791 0.365356
C -1.176914 -1.444553 -0.842861
C -3.616275 2.318699 0.821399
C -1.979364 2.015865 -1.071238
C -4.487974 -0.334125 0.603015
C 2.291973 -1.131323 0.305529
C 3.396023 -0.149151 0.078576
C 4.371881 -0.449080 -0.881529
C 3.478971 1.027355 0.834944
C 5.426807 0.442752 -1.094557
C 4.539696 1.911366 0.619865
C 5.510181 1.621257 -0.345674
H -1.605139 -1.298123 2.145555
H -3.529638 -0.038817 -1.318577
H 0.124048 -2.442809 0.700021
H -3.966319 1.936707 1.795152
H -3.172530 3.304172 1.025463
H -4.506642 2.499207 0.201518
H -1.399114 2.911737 -0.806266
H -1.290589 1.334320 -1.588748
H -2.724024 2.340305 -1.813474
H 0.855142 0.400570 -0.056716
H -6.432637 -0.508495 0.217415
H 4.309077 -1.378181 -1.451578
H 2.729526 1.248518 1.595455
H 6.186969 0.215109 -1.841184
H 4.612095 2.825511 1.207754
H 6.335614 2.313464 -0.511518


%chk=000209816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209816

0 1
S -1.318645 1.117160 1.390910
O -1.207561 -1.264278 -2.283530
O -5.735076 -0.183424 0.192998
O -4.357544 -1.080974 1.838774
O 2.479535 -2.373886 0.060784
N -2.228468 -0.946718 -0.091291
N 1.072783 -0.522276 0.016732
C -1.291381 -0.766890 1.040881
C -2.832653 1.424134 0.183181
C -3.366290 -0.035803 -0.183138
C -0.128027 -1.305186 0.121750
C -1.194323 -1.206936 -1.044457
C -3.858256 2.302646 0.923839
C -2.316092 2.115921 -1.096584
C -4.489376 -0.504406 0.740871
C 2.337055 -1.112624 0.022099
C 3.509762 -0.171122 -0.030783
C 4.755417 -0.707594 -0.446123
C 3.430668 1.198159 0.337801
C 5.898623 0.114348 -0.515904
C 4.577945 2.018722 0.273073
C 5.812309 1.481384 -0.160242
H -1.533778 -1.301071 1.967092
H -3.742115 -0.021650 -1.220131
H 0.164328 -2.348621 0.333944
H -4.159735 1.856822 1.886505
H -3.426324 3.296923 1.131985
H -4.758254 2.445567 0.297309
H -1.773369 3.042467 -0.842207
H -1.634598 1.464877 -1.670113
H -3.166931 2.385383 -1.752331
H 0.967127 0.491615 -0.063316
H -6.460626 -0.474539 0.810567
H 4.799092 -1.770809 -0.703503
H 2.494833 1.630006 0.713785
H 6.854613 -0.307458 -0.844416
H 4.511660 3.071436 0.568653
H 6.700770 2.120496 -0.211468


