%chk=000296158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296158

0 1
S 5.554226 -0.607120 -0.140564
O 5.694366 -1.795809 -0.958711
O 6.356827 0.573186 -0.390229
O -2.652935 2.890765 -0.170148
N -0.172901 0.876034 0.276560
N 5.940283 -1.099503 1.461852
C 3.891920 -0.165222 -0.058833
C 3.531511 1.145426 0.277470
C 2.903208 -1.116676 -0.335513
C 1.198804 0.547901 0.070752
C -3.373062 0.625076 -0.106547
C 2.188796 1.512545 0.342665
C 1.554293 -0.770377 -0.276906
C -5.350045 -1.354593 0.168338
C -3.011508 -0.697836 0.188680
C -4.735526 0.954723 -0.246389
C -3.992428 -1.680270 0.324443
C -5.714395 -0.025918 -0.117816
C -2.382281 1.714334 -0.252570
C -6.405249 -2.398772 0.313534
C -0.953798 1.332901 -0.630364
H 4.307551 1.894206 0.478845
H 3.188251 -2.139097 -0.613447
H 1.904335 2.529164 0.613243
H 0.785463 -1.511301 -0.485287
H -1.962516 -0.965754 0.330316
H -5.014579 1.992398 -0.454042
H -3.701811 -2.703061 0.558224
H -6.764833 0.236800 -0.232172
H -7.096709 -2.400322 -0.542094
H -5.996528 -3.414802 0.396535
H -7.012164 -2.223109 1.215635
H -0.721107 1.544792 -1.687101
H 6.586323 -0.525370 1.998680
H 6.153117 -2.080838 1.625064


%chk=000296158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296158

0 1
S 5.766272 -0.364994 0.001760
O 6.173124 -1.496343 -1.096994
O 6.425836 1.123398 0.056554
O -2.704910 2.819377 -0.841150
N -0.278710 0.263315 -0.244389
N 6.050715 -1.125164 1.654988
C 3.899238 -0.153449 -0.063570
C 3.354749 1.056106 0.396426
C 3.129658 -1.208746 -0.582301
C 1.138629 0.174475 -0.192003
C -3.391340 0.580480 -0.251582
C 1.957509 1.220904 0.324863
C 1.732824 -1.042372 -0.627891
C -5.487214 -1.290451 0.304455
C -3.085609 -0.764301 0.099319
C -4.760314 0.975169 -0.320006
C -4.124279 -1.678312 0.371466
C -5.785343 0.056500 -0.048542
C -2.368438 1.619837 -0.557594
C -6.601511 -2.273139 0.607417
C -0.877744 1.379044 -0.563940
H 4.007700 1.848131 0.776664
H 3.611915 -2.120202 -0.948730
H 1.497834 2.142812 0.696656
H 1.084698 -1.836820 -1.008937
H -2.039887 -1.074841 0.156587
H -4.985188 2.012089 -0.591232
H -3.874628 -2.711368 0.640972
H -6.832634 0.376628 -0.108532
H -7.358499 -2.281681 -0.198358
H -6.218121 -3.300207 0.728263
H -7.128745 -1.998233 1.541171
H -0.330278 2.288255 -0.889253
H 6.631276 -0.474958 2.210666
H 6.496311 -2.046439 1.508883


