%chk=000218748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218748

0 1
I -9.731156 1.052960 0.742750
S 7.352145 0.335020 -1.199663
S 8.053036 0.121422 0.722340
O -3.872035 -0.770525 0.090118
O 6.955528 1.148520 1.470716
O 7.770368 -1.189733 1.194464
O 9.320010 0.758875 0.849756
N 3.417700 -0.509366 -0.606381
N -5.415154 0.987195 0.357651
C 0.967052 -0.546309 -0.304882
C -0.301371 0.296771 -0.127537
C 2.220295 0.343832 -0.328343
C -1.551066 -0.589982 -0.100550
C -2.807585 0.255623 0.071538
C 4.687349 0.281518 -0.554273
C 5.785603 -0.593598 -1.154628
C -5.150541 -0.348436 0.234033
C -6.144133 -1.360142 0.245592
C -7.463746 -0.955390 0.392159
C -6.718477 1.352683 0.499785
C -7.753191 0.411869 0.520340
H 0.911548 -1.129964 -1.247390
H 1.042358 -1.296163 0.506147
H -0.235991 0.887211 0.807839
H -0.380262 1.035573 -0.950104
H 2.138131 1.091640 -1.149129
H 2.303416 0.916590 0.620698
H -1.486261 -1.335444 0.718510
H -1.626569 -1.188904 -1.031566
H 3.463701 -1.275064 0.076819
H -2.846833 0.807283 1.025410
H -3.004541 0.938377 -0.771584
H 4.956756 0.614344 0.476754
H 4.559507 1.209254 -1.158432
H 5.907936 -1.551993 -0.607781
H 5.543543 -0.869432 -2.205397
H -5.859536 -2.403656 0.141956
H -8.266843 -1.697426 0.407082
H -6.903594 2.432258 0.597018
H 7.310502 1.790609 2.108067


%chk=000218748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218748

0 1
I -9.884922 1.251414 0.750891
S 7.336680 0.527648 -1.446504
S 8.383474 0.013337 0.742492
O -4.038948 -0.960313 0.034899
O 8.156827 1.700982 1.496098
O 7.388847 -1.018915 1.507905
O 9.970568 -0.298151 0.733362
N 3.407022 -0.301271 -0.469656
N -5.516454 0.860539 0.367544
C 0.929051 -0.533677 -0.306116
C -0.410806 0.213251 -0.124550
C 2.133536 0.427587 -0.324512
C -1.630332 -0.737621 -0.125284
C -2.933930 0.037923 0.066247
C 4.629686 0.498187 -0.623832
C 5.770926 -0.426129 -1.083649
C -5.325292 -0.472234 0.192324
C -6.387261 -1.416699 0.159941
C -7.699949 -0.938804 0.318011
C -6.793093 1.317950 0.520839
C -7.905740 0.453312 0.501852
H 0.918577 -1.113410 -1.249037
H 1.053015 -1.267213 0.518402
H -0.387143 0.785391 0.826149
H -0.525949 0.961062 -0.936599
H 2.041780 1.123354 -1.182341
H 2.116444 1.059024 0.598425
H -1.528683 -1.486609 0.683538
H -1.674730 -1.296120 -1.079789
H 3.508128 -1.085072 0.188573
H -2.964451 0.573220 1.033659
H -3.101252 0.779561 -0.737245
H 4.943842 1.032190 0.303292
H 4.440162 1.271891 -1.392439
H 6.018262 -1.163766 -0.291327
H 5.506525 -0.984433 -2.001007
H -6.173243 -2.478386 0.015618
H -8.544546 -1.633321 0.298813
H -6.910587 2.396910 0.660409
H 8.831558 1.785313 2.234505


