%chk=000112950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112950

0 1
S -2.273274 1.851974 -0.432735
O -0.039910 1.927294 -1.527875
O 4.754178 -1.198041 1.119903
O -0.979911 -0.145843 -1.737968
C 2.137198 0.859795 -1.358802
C 1.172908 1.544025 -2.272972
C 2.028274 -0.529103 -1.137089
C 3.142161 1.588976 -0.712838
C 3.937006 -0.427070 0.327220
C 2.921997 -1.182314 -0.301779
C 4.057423 0.954385 0.132922
C -3.375816 0.574529 0.079435
C -3.938635 0.736087 1.349641
C -3.726478 -0.493262 -0.746431
C -0.993039 0.985250 -1.336589
C -4.890022 -0.189164 1.789157
C -4.672223 -1.418880 -0.290520
C -5.255943 -1.264665 0.970813
C 5.826038 -0.538234 1.836584
H 1.513509 2.537749 -2.620664
H 0.873270 0.919065 -3.133910
H 1.219861 -1.088889 -1.620157
H 3.217899 2.666626 -0.864546
H 2.856751 -2.252223 -0.115963
H 4.832012 1.532888 0.623228
H -3.645156 1.564231 1.995812
H -3.260153 -0.623781 -1.726832
H -5.342279 -0.074953 2.773158
H -4.951441 -2.260729 -0.922864
H -5.994612 -1.985039 1.319903
H 5.418875 0.195601 2.537989
H 6.531254 -0.086222 1.133556
H 6.287676 -1.378963 2.371313


%chk=000112950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112950

0 1
S -2.317076 1.972511 -0.261631
O -0.015038 1.866522 -1.487934
O 5.040058 -1.079411 1.268931
O -1.121921 -0.203510 -1.539026
C 2.195000 0.682188 -1.330535
C 1.166860 1.275027 -2.256081
C 2.131121 -0.688186 -0.952610
C 3.247972 1.477624 -0.818847
C 4.137934 -0.428962 0.417327
C 3.089792 -1.241309 -0.088259
C 4.220070 0.938730 0.051696
C -3.553428 0.654771 0.116539
C -3.902272 0.449513 1.470701
C -4.187540 -0.075328 -0.913493
C -1.048431 0.993425 -1.203631
C -4.905034 -0.493454 1.795486
C -5.176939 -1.026756 -0.578354
C -5.541064 -1.234258 0.772986
C 6.137449 -0.287597 1.832309
H 1.543532 2.157848 -2.794844
H 0.756903 0.531260 -2.960220
H 1.313292 -1.311378 -1.330719
H 3.309640 2.536241 -1.099285
H 3.051350 -2.292814 0.211217
H 5.022369 1.578980 0.429760
H -3.392421 1.013551 2.258542
H -3.908086 0.089056 -1.958046
H -5.178705 -0.652162 2.844266
H -5.664756 -1.600592 -1.373831
H -6.313404 -1.968832 1.026553
H 5.754489 0.546594 2.451570
H 6.795847 0.111252 1.036290
H 6.701834 -0.989445 2.463275


