%chk=000286638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286638

0 1
S 1.899445 -0.234162 -0.285562
O 1.065828 -0.494607 0.889985
O 1.337473 0.466097 -1.416787
O -2.085270 -1.537452 0.626552
O 0.793885 -4.707861 -0.692552
O -3.437193 -3.093895 -0.363683
O -5.577544 3.439356 -0.981231
O -3.817049 4.395674 -0.168885
N 2.368529 -1.770048 -0.908419
N -0.019652 -3.142618 0.759059
N -4.465693 3.407172 -0.476276
C 3.365839 0.487612 0.223205
C 2.325837 -2.951577 -0.036389
C 3.717168 0.488024 1.579486
C 4.213067 1.094437 -0.714182
C 5.764937 1.680385 1.057998
C 4.908620 1.077650 1.997217
C 5.405632 1.685509 -0.302711
C 0.970999 -3.682235 -0.057914
C 7.038180 2.321141 1.492083
C -1.356653 -3.753278 0.780158
C -2.437619 -2.830523 0.239519
C -2.760408 -0.376911 0.281251
C -4.037056 -0.326306 -0.287724
C -2.013682 0.774765 0.602113
C -3.869285 2.087778 -0.216169
C -4.593034 0.927099 -0.538252
C -2.577713 2.015297 0.348086
H 2.141665 -1.993072 -1.887960
H 2.612419 -2.689151 1.007727
H 3.097355 -3.684157 -0.393351
H 3.048037 0.031977 2.318920
H 3.936494 1.114626 -1.774322
H 5.173494 1.075725 3.053633
H 6.059459 2.156892 -1.035588
H 0.063042 -2.191036 1.169990
H -1.361656 -4.705176 0.175138
H -1.625682 -4.035351 1.829647
H 6.983968 3.417219 1.389157
H 7.291862 2.112901 2.540781
H 7.893248 1.987703 0.884439
H -4.581537 -1.241671 -0.538081
H -1.007965 0.661128 1.026092
H -5.591260 1.015622 -0.983989
H -2.034429 2.939997 0.575495


%chk=000286638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286638

0 1
S 1.989070 -0.196352 0.616338
O 1.657432 -1.082364 1.964289
O 1.006435 0.994622 0.093674
O -2.027583 -1.439257 0.218049
O 0.302386 -4.259323 -1.248882
O -3.613302 -2.816427 1.287095
O -6.374186 3.006992 -1.355382
O -4.450317 4.232942 -1.361919
N 2.140549 -1.365999 -0.824636
N 0.027796 -3.131258 0.780099
N -5.096770 3.125693 -1.199092
C 3.713554 0.497438 0.849029
C 2.131940 -2.813483 -0.481269
C 4.518572 -0.046289 1.860519
C 4.112944 1.554645 0.014429
C 6.274644 1.561268 1.206818
C 5.810599 0.501631 2.028726
C 5.406640 2.080907 0.206735
C 0.737805 -3.469395 -0.354156
C 7.666610 2.135966 1.386776
C -1.321945 -3.632709 0.987538
C -2.457663 -2.613234 0.870438
C -2.885605 -0.341694 -0.088433
C -4.286546 -0.452116 -0.269652
C -2.201206 0.883617 -0.264480
C -4.327248 1.921372 -0.812072
C -5.010371 0.698376 -0.637288
C -2.929740 2.028786 -0.629312
H 1.392290 -1.074506 -1.482111
H 2.713068 -2.952460 0.448475
H 2.659878 -3.330243 -1.301317
H 4.141268 -0.844580 2.507033
H 3.433782 1.964314 -0.739504
H 6.461346 0.101092 2.813595
H 5.745730 2.908621 -0.426432
H 0.438859 -2.440792 1.432605
H -1.501123 -4.412503 0.219892
H -1.431667 -4.111038 1.977517
H 7.634749 3.234735 1.500817
H 8.170048 1.716267 2.273441
H 8.300414 1.919902 0.506134
H -4.799383 -1.401366 -0.115007
H -1.117117 0.923550 -0.110823
H -6.092154 0.661133 -0.788352
H -2.438384 2.994215 -0.772237


