%chk=000211664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211664

0 1
S -5.040661 -1.481195 -0.803877
S -5.420270 1.224947 -0.010571
O 3.280760 -3.166020 0.938501
O 1.835833 2.742535 1.485825
O 3.787999 -0.507332 -0.192686
O 1.631848 3.317501 -1.396001
N -2.454697 -2.071127 -0.489757
N -3.292225 -0.177584 0.810365
C -2.452060 -1.417102 0.855142
C -1.303926 -3.018033 -0.671878
C -3.741305 -2.761850 -0.737950
C -2.710707 1.017950 1.486887
C 0.034371 -2.337780 -0.516364
C -4.425390 -0.093036 0.086205
C -1.546355 1.603914 0.725486
C 1.045806 -2.995206 0.198064
C 0.282589 -1.089500 -1.106457
C -0.342717 1.846905 1.400272
C -1.676620 1.935332 -0.631345
C 2.312480 -2.407698 0.298806
C 1.545897 -0.502373 -1.013177
C 0.725667 2.442566 0.716590
C 2.565364 -1.163419 -0.319517
C -0.615193 2.527877 -1.317184
C 0.583982 2.790516 -0.645785
C 3.954837 -2.496514 2.039346
C 3.103356 2.246888 0.970245
C 4.861065 -1.137567 -0.947906
C 1.939729 4.699604 -1.059531
H -2.849231 -2.067184 1.674418
H -1.400728 -1.127072 1.116817
H -1.369000 -3.406622 -1.720362
H -1.374640 -3.904917 -0.002004
H -4.020567 -3.530591 0.012155
H -3.721940 -3.250003 -1.739009
H -3.500397 1.810025 1.609699
H -2.421397 0.724133 2.522116
H 0.878397 -3.960534 0.672729
H -0.521143 -0.572837 -1.639655
H -0.213241 1.595161 2.451293
H -2.617178 1.743455 -1.154051
H 1.750893 0.468334 -1.472679
H -0.707078 2.798326 -2.369258
H 4.356611 -1.526482 1.725025
H 3.252816 -2.384592 2.869952
H 4.753607 -3.204967 2.284308
H 3.826994 2.740009 1.625650
H 3.132216 1.156473 1.084829
H 3.245304 2.526809 -0.079394
H 4.648927 -1.053179 -2.017373
H 4.975917 -2.184064 -0.644964
H 5.730622 -0.535340 -0.665951
H 2.174263 4.789667 0.006654
H 1.095976 5.337371 -1.336734
H 2.814739 4.901821 -1.685855


%chk=000211664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211664

0 1
S -5.093176 -1.553800 -1.000571
S -5.438616 1.330961 -0.312095
O 3.438462 -3.152558 0.946733
O 1.826961 2.867438 1.562729
O 3.880688 -0.690660 -0.578111
O 1.629728 3.720261 -1.251033
N -2.475126 -2.255053 -0.376534
N -3.308487 -0.151224 0.600680
C -2.526190 -1.403045 0.812530
C -1.326249 -3.199430 -0.428967
C -3.759612 -2.888157 -0.647464
C -2.788993 1.038576 1.335916
C 0.032465 -2.509219 -0.435480
C -4.472545 -0.072404 -0.119143
C -1.592962 1.690950 0.654382
C 1.112995 -3.090289 0.269228
C 0.248028 -1.312106 -1.163009
C -0.408047 1.958562 1.378044
C -1.668866 2.071568 -0.710741
C 2.396564 -2.505645 0.240342
C 1.530632 -0.726458 -1.204412
C 0.686053 2.613031 0.769084
C 2.614558 -1.324586 -0.525536
C -0.589599 2.743484 -1.318454
C 0.581162 3.040644 -0.585821
C 4.043301 -2.354484 2.038582
C 3.094788 2.282708 1.056268
C 4.934977 -1.481705 -1.257207
C 1.955045 5.050271 -0.683629
H -2.964912 -1.939240 1.694252
H -1.498475 -1.097822 1.065194
H -1.450114 -3.780323 -1.364851
H -1.355972 -3.939935 0.408070
H -4.142325 -3.507756 0.193936
H -3.703828 -3.493822 -1.566281
H -3.632529 1.750695 1.401329
H -2.525764 0.717541 2.362048
H 0.979847 -4.002112 0.862973
H -0.592022 -0.842868 -1.684948
H -0.302469 1.661367 2.428063
H -2.582024 1.868105 -1.279538
H 1.712634 0.196716 -1.764161
H -0.639935 3.073850 -2.361231
H 4.459744 -1.405984 1.654126
H 3.287052 -2.143608 2.818598
H 4.842415 -2.987150 2.453645
H 3.867749 2.612931 1.766984
H 3.032015 1.180449 1.043041
H 3.321171 2.642490 0.037410
H 4.667337 -1.633012 -2.319740
H 5.076119 -2.459708 -0.762494
H 5.850429 -0.875186 -1.184159
H 2.221515 4.971549 0.385959
H 1.093544 5.733795 -0.804672
H 2.811058 5.417803 -1.269760


