%chk=000195479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195479

0 1
S -6.787160 1.634454 -0.718196
F -7.318115 0.296690 -1.369434
O 2.797066 -0.010814 2.118503
O 1.154993 2.918005 1.744840
O -0.521292 -0.152988 0.508495
O -1.252630 -0.447778 2.630661
O -7.712043 1.883825 0.342987
O -6.616884 2.509735 -1.835640
N 4.324861 -0.248139 0.335238
N 5.494290 -2.035799 -0.542984
N 2.978601 0.329169 -1.717540
N 3.503155 -1.115317 -3.624796
N 5.078978 -2.874804 -3.512454
C 1.718154 1.841455 1.009747
C 3.838190 0.667788 1.394149
C 1.489138 0.492896 1.741666
C 3.248005 1.977292 0.868651
C 0.819200 -0.580771 0.880151
C 3.896093 -0.393029 -0.992851
C 5.286527 -1.303697 0.550600
C 4.647315 -1.499014 -1.528641
C 4.422869 -1.847025 -2.894376
C -1.489800 -0.133544 1.488419
C 2.846082 -0.087296 -3.008440
C -2.791642 0.312551 0.909514
C -3.936032 0.211030 1.714212
C -2.873240 0.825872 -0.391033
C -5.256353 1.127242 -0.094402
C -5.171868 0.621429 1.206595
C -4.113393 1.235128 -0.891864
H 1.183173 1.905720 0.033256
H 4.653141 0.787200 2.149823
H 0.954662 0.616562 2.713361
H 3.523508 2.189833 -0.186391
H 3.621526 2.847681 1.438850
H 0.766941 -1.547964 1.412477
H 1.290330 -0.708424 -0.113943
H 1.536557 2.989025 2.644870
H 5.760530 -1.440139 1.513830
H 2.122728 0.465103 -3.634373
H 5.753404 -3.427845 -3.004736
H 4.898902 -3.095680 -4.479876
H -3.853432 -0.183341 2.732302
H -1.970282 0.903957 -1.005161
H -6.067960 0.552292 1.836045
H -4.179993 1.646472 -1.906912


%chk=000195479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195479

0 1
S -6.916366 2.019118 -0.706571
F -7.681655 0.388185 -1.157683
O 2.802034 -0.344473 2.024950
O 0.776596 2.601935 1.300826
O -0.675259 -0.367417 0.586681
O -1.479862 -0.413306 2.777010
O -7.822691 2.620519 0.475339
O -6.678373 2.793019 -2.093602
N 4.484876 -0.245005 0.267240
N 6.090848 -1.531619 -0.766861
N 2.830754 -0.116124 -1.607876
N 3.612425 -1.320097 -3.606855
N 5.677544 -2.465704 -3.686086
C 1.642839 1.498395 0.887131
C 3.842068 0.479594 1.378697
C 1.451524 0.215304 1.747417
C 3.163267 1.810295 0.992603
C 0.640612 -0.892990 1.052480
C 4.004745 -0.507220 -1.027327
C 5.731671 -0.897109 0.358848
C 5.015623 -1.293965 -1.644434
C 4.781813 -1.703820 -2.990256
C -1.648610 -0.164744 1.558103
C 2.722855 -0.565487 -2.896835
C -2.917873 0.367051 0.967272
C -4.023586 0.547917 1.837288
C -3.020592 0.691284 -0.409738
C -5.302422 1.343743 -0.031480
C -5.245658 1.042259 1.339372
C -4.233941 1.188075 -0.929450
H 1.368170 1.308899 -0.159023
H 4.637689 0.614958 2.131920
H 0.990098 0.462418 2.722321
H 3.560421 2.230494 0.056537
H 3.332683 2.543002 1.803139
H 0.471736 -1.741862 1.736392
H 1.141917 -1.211042 0.127074
H 0.950362 2.823651 2.252590
H 6.321280 -0.868590 1.273462
H 1.807791 -0.287058 -3.428061
H 6.545345 -2.760968 -3.243134
H 5.459436 -2.734135 -4.643675
H -3.909372 0.294637 2.895635
H -2.153359 0.554070 -1.059678
H -6.112412 1.195680 1.989063
H -4.340191 1.453229 -1.985567


