%chk=000210339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210339

0 1
S -7.358369 1.009875 -1.205128
S -8.032817 1.089871 0.736319
O 2.425995 -1.015422 -0.095861
O 8.213518 1.309945 0.455432
O -6.716457 1.900028 1.391623
O -9.126273 1.997163 0.832556
O -8.030368 -0.215226 1.301006
N -3.681804 -0.621993 -0.603009
C -1.284815 -1.167082 -0.368782
C 0.135390 -0.604860 -0.275877
C -2.318493 -0.030376 -0.427767
C 1.171508 -1.729263 -0.229226
C -4.748296 0.428075 -0.596690
C 3.578471 -1.892727 -0.022936
C -6.027011 -0.230057 -1.110916
C 4.778209 -0.994973 0.098217
C 5.988906 -1.525262 0.582265
C 4.706462 0.351596 -0.275660
C 7.117910 -0.722269 0.684891
C 5.827824 1.181881 -0.177058
C 7.022268 0.632649 0.301537
C 8.243017 2.713112 0.101796
H -1.389335 -1.805536 -1.270607
H -1.490910 -1.828807 0.494732
H 0.355629 0.059218 -1.136172
H 0.252654 0.034683 0.622832
H -2.113179 0.621153 -1.306965
H -2.234262 0.612938 0.474902
H 1.037201 -2.392200 0.642378
H 1.189942 -2.326273 -1.156793
H -3.864653 -1.298743 0.147773
H -4.442362 1.258627 -1.273847
H -4.908059 0.887060 0.408382
H 3.465014 -2.554568 0.855446
H 3.624159 -2.498812 -0.947928
H -5.882539 -0.627455 -2.140396
H -6.334923 -1.096809 -0.489368
H 6.046563 -2.572018 0.879149
H 3.757687 0.754277 -0.641692
H 8.064884 -1.108816 1.053022
H 5.755177 2.223547 -0.467878
H 7.551801 3.278918 0.732884
H 8.023659 2.841807 -0.961875
H 9.284898 2.978559 0.323482
H -6.903420 2.644966 1.987106


%chk=000210339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210339

0 1
S -7.616562 0.738999 -1.469246
S -8.459545 0.627404 0.864703
O 2.483237 -0.744836 -0.071155
O 8.690627 0.966943 0.270457
O -7.951098 2.349033 1.363557
O -10.061874 0.522552 1.058637
O -7.505525 -0.425497 1.655432
N -3.740115 -0.409557 -0.594521
C -1.313008 -0.914346 -0.379794
C 0.113833 -0.325032 -0.317740
C -2.386177 0.175107 -0.568652
C 1.178514 -1.409431 -0.127738
C -4.865956 0.504271 -0.834517
C 3.581052 -1.691196 0.128251
C -6.127056 -0.332095 -1.110796
C 4.902268 -0.942859 0.159718
C 6.107841 -1.659433 0.384965
C 4.970459 0.453444 -0.032646
C 7.348239 -0.999107 0.415500
C 6.210862 1.134311 -0.004262
C 7.402977 0.404590 0.220069
C 8.800434 2.413510 0.075931
H -1.395438 -1.641512 -1.210886
H -1.521852 -1.473868 0.557039
H 0.337932 0.231362 -1.248223
H 0.194606 0.397299 0.517318
H -2.221748 0.699954 -1.530602
H -2.278017 0.943904 0.235941
H 0.997756 -1.975492 0.815091
H 1.156679 -2.135378 -0.972676
H -3.911528 -1.069271 0.176270
H -4.624628 1.128317 -1.716192
H -5.069740 1.201531 0.011733
H 3.428918 -2.247133 1.082513
H 3.581644 -2.443066 -0.695157
H -5.997203 -1.012966 -1.972485
H -6.383019 -0.948208 -0.223024
H 6.079243 -2.745932 0.538841
H 4.042164 1.005077 -0.203447
H 8.282251 -1.542233 0.588519
H 6.230426 2.217914 -0.155797
H 8.248635 2.969452 0.859274
H 8.428496 2.716204 -0.922649
H 9.875356 2.633936 0.153090
H -8.513957 2.603735 2.154655


