%chk=000241886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241886

0 1
S 0.669911 0.290336 1.932634
O -0.904497 -1.101061 -1.738908
O -3.081015 1.554780 1.368383
O -1.998498 2.526179 -1.825594
O -0.318668 3.710872 -0.935835
O 6.685918 0.282202 -0.959553
O 6.737725 -1.619937 0.068974
N -1.723463 0.443420 -0.186296
N 6.189775 -0.576019 -0.247377
C -0.583553 1.367231 -0.246064
C -3.109830 -1.372137 -0.661066
C -3.777036 -0.548810 0.290208
C -1.784404 -0.760178 -0.996915
C -2.911317 0.632015 0.616207
C -0.067546 1.734740 1.145637
C -0.924849 2.667550 -0.994522
C -3.687666 -2.530427 -1.133758
C -5.024764 -0.881021 0.771460
C -4.969873 -2.873997 -0.640754
C -5.621221 -2.070492 0.287109
C 2.271961 0.118825 1.237140
C 2.875339 1.080971 0.422829
C 2.935784 -1.070701 1.576985
C 4.162858 0.855252 -0.067147
C 4.220724 -1.299198 1.092394
C 4.828257 -0.333501 0.269641
H 0.233308 0.863110 -0.858764
H -0.900398 2.072178 1.814451
H 0.631061 2.599308 1.100756
H -3.180382 -3.164575 -1.862764
H -5.540384 -0.253261 1.500098
H -5.446093 -3.787503 -1.002512
H -6.609890 -2.351910 0.655149
H 2.367829 2.013357 0.168594
H 2.456687 -1.818958 2.212804
H -2.206301 3.368146 -2.324487
H 4.658001 1.594293 -0.708170
H 4.762809 -2.219178 1.340334


%chk=000241886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241886

0 1
S 0.692592 0.289759 2.211217
O -0.698308 -1.275762 -1.377508
O -3.288328 1.767007 1.106935
O -1.911137 2.508345 -1.805629
O -0.177160 3.692291 -0.808150
O 6.545433 0.334750 -1.318416
O 6.748118 -1.634436 -0.180446
N -1.722386 0.446265 -0.098608
N 6.104669 -0.555549 -0.489754
C -0.593608 1.367500 -0.102915
C -3.051036 -1.408256 -0.557602
C -3.830866 -0.488604 0.187382
C -1.693225 -0.820404 -0.766177
C -2.995077 0.716084 0.483861
C -0.109109 1.735761 1.322147
C -0.863631 2.653271 -0.906689
C -3.575530 -2.637382 -0.983390
C -5.161747 -0.768701 0.530951
C -4.921340 -2.930038 -0.640446
C -5.702105 -2.009990 0.104658
C 2.289156 0.109425 1.340053
C 2.817222 1.064302 0.432669
C 3.029377 -1.067016 1.639510
C 4.070574 0.846932 -0.169201
C 4.282193 -1.288265 1.046135
C 4.790581 -0.326734 0.141982
H 0.214464 0.835328 -0.649701
H -0.965336 2.015252 1.955837
H 0.584120 2.588833 1.284952
H -2.964211 -3.338941 -1.559316
H -5.755811 -0.051413 1.105639
H -5.366209 -3.879805 -0.955422
H -6.737997 -2.263471 0.353549
H 2.280562 1.988709 0.198762
H 2.618611 -1.808842 2.332338
H -2.032046 3.351848 -2.320517
H 4.498008 1.570138 -0.868721
H 4.866825 -2.186292 1.261331


