%chk=000291538.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291538

0 1
S -6.027952 0.060611 0.883363
S 4.540081 1.759905 -0.950003
O -7.400918 0.282700 0.477677
O -5.722313 -0.627563 2.115169
O 5.254534 2.627476 -1.863784
O 3.541764 2.290271 -0.051505
N -5.378512 -0.836497 -0.438697
N 3.803060 0.616971 -2.009628
C -0.193050 -3.276050 -0.668980
C -1.567755 -2.665904 -0.594584
C 0.844525 -2.244368 -1.025853
C -4.111194 -1.477975 -0.464829
C 2.788656 -0.316565 -1.665304
C -2.164986 -2.397210 0.644739
C 1.566291 -2.337748 -2.224311
C -2.264521 -2.352262 -1.772725
C 1.094172 -1.167356 -0.160791
C -3.429262 -1.813080 0.719557
C 2.533614 -1.387680 -2.548709
C -3.526609 -1.766912 -1.718203
C 2.051686 -0.203986 -0.470559
C -5.157149 1.548708 0.821937
C 5.667623 0.808080 -0.054622
C -5.756311 2.673327 0.242853
C 7.006949 0.765887 -0.458346
C -3.864069 1.636139 1.347677
C 5.251903 0.091653 1.072118
C -5.059847 3.883050 0.182043
C 7.929529 0.000485 0.259845
C -3.164646 2.845147 1.285134
C 6.173448 -0.675466 1.791258
C -3.762477 3.966909 0.700885
C 7.511002 -0.721372 1.383498
H 0.078871 -3.754159 0.296924
H -0.192689 -4.110036 -1.402728
H -1.644481 -2.652361 1.567703
H 1.374390 -3.159173 -2.913971
H -1.809214 -2.559624 -2.741054
H 0.518184 -1.072732 0.760535
H -3.892741 -1.660309 1.700317
H 3.086472 -1.477606 -3.479906
H -4.051459 -1.525740 -2.638817
H 2.181819 0.654343 0.195843
H -5.953254 -0.960376 -1.281572
H 4.047669 0.648821 -3.008230
H -6.774945 2.608613 -0.157934
H 7.336492 1.339627 -1.332768
H -3.394099 0.763035 1.812519
H 4.207631 0.131757 1.399918
H -5.525947 4.758459 -0.268011
H 8.972204 -0.031810 -0.053524
H -2.154385 2.911857 1.688504
H 5.849480 -1.234728 2.668081
H -3.215633 4.909911 0.650049
H 8.230472 -1.319995 1.944301


%chk=000291538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291538

0 1
S -6.083153 -0.100888 1.241496
S 4.751233 2.097702 -0.892519
O -7.642090 0.216946 0.913103
O -5.563919 -0.642739 2.679798
O 5.821590 2.960018 -1.759541
O 3.749647 2.755796 0.200953
N -5.622894 -1.503835 -0.045224
N 3.593433 1.310107 -2.252577
C -0.019770 -2.912251 -0.571625
C -1.483496 -2.505356 -0.431430
C 0.922844 -1.800156 -1.031135
C -4.238823 -1.794614 -0.182751
C 2.745338 0.252275 -1.827514
C -2.199362 -2.762272 0.766798
C 1.962606 -2.071059 -1.956146
C -2.171393 -1.881227 -1.505882
C 0.810385 -0.480429 -0.513988
C -3.561902 -2.429117 0.895550
C 2.882732 -1.071096 -2.331766
C -3.521922 -1.507524 -1.380644
C 1.692442 0.539442 -0.911630
C -5.062642 1.443638 0.819580
C 5.690000 0.693888 -0.023810
C -5.624525 2.375388 -0.069693
C 6.952970 0.342508 -0.529757
C -3.798931 1.587222 1.416648
C 5.086014 0.078567 1.085218
C -4.858096 3.521413 -0.384464
C 7.649366 -0.701848 0.121685
C -3.047839 2.738963 1.084006
C 5.798035 -0.967155 1.717932
C -3.573852 3.696578 0.184863
C 7.070165 -1.355910 1.235548
H 0.332529 -3.300519 0.405324
H 0.063308 -3.759508 -1.281455
H -1.686711 -3.246912 1.606713
H 2.064821 -3.079981 -2.374297
H -1.633380 -1.664218 -2.436102
H 0.000710 -0.247998 0.187332
H -4.118293 -2.654433 1.809867
H 3.696605 -1.307136 -3.029195
H -4.031850 -1.002935 -2.211357
H 1.584498 1.561942 -0.537798
H -6.085755 -1.183611 -0.916167
H 4.252118 1.062972 -3.013843
H -6.632749 2.225265 -0.470044
H 7.384470 0.887822 -1.375756
H -3.432873 0.842330 2.130247
H 4.112623 0.419308 1.451163
H -5.266026 4.275536 -1.065421
H 8.641607 -0.996148 -0.235610
H -2.059688 2.889029 1.531096
H 5.361074 -1.469610 2.586961
H -2.985849 4.586132 -0.065059
H 7.616721 -2.163201 1.734821


