%chk=000298572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298572

0 1
S -1.566417 -0.295303 -1.334815
O 0.934216 -0.118267 -1.825106
O -1.400485 0.693130 -2.449601
C 0.933314 0.098883 -0.400070
C -0.519406 0.378901 0.013519
C 1.895631 1.236215 -0.069678
C 1.437965 -1.211694 0.198732
C 2.994555 1.449578 -0.915238
C 1.658864 -1.310028 1.580407
C 1.726904 2.043769 1.062148
C 1.679504 -2.319136 -0.624446
C -3.148582 0.064247 -0.584678
C 3.906498 2.470659 -0.639194
C 2.110454 -2.511499 2.131959
C 2.642722 3.064459 1.337257
C 2.132107 -3.519315 -0.068427
C 3.731263 3.281246 0.487380
C 2.346187 -3.618411 1.309372
C -3.929185 1.106179 -1.080848
C -3.612912 -0.763548 0.437084
C -5.199947 1.331823 -0.538899
C -4.882800 -0.535221 0.978082
C -5.674031 0.512005 0.490258
H -0.780072 -0.087434 0.975391
H -0.708394 1.460859 0.133283
H 3.130961 0.807323 -1.789132
H 1.493294 -0.448716 2.225368
H 0.886432 1.886158 1.735279
H 1.516464 -2.234995 -1.703284
H 0.636213 0.697333 -2.327190
H 4.755507 2.633309 -1.301287
H 2.284206 -2.584031 3.203917
H 2.505967 3.691479 2.216444
H 2.320150 -4.376439 -0.712858
H 4.441604 4.077342 0.702227
H 2.699601 -4.552644 1.741131
H -3.548563 1.738042 -1.891569
H -3.005697 -1.585025 0.816176
H -5.817229 2.143526 -0.920269
H -5.257098 -1.173408 1.776258
H -6.662867 0.686549 0.912619


%chk=000298572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298572

0 1
S -1.714736 -1.161701 -0.065022
O 0.747836 0.021852 -1.792622
O -1.458169 -1.443881 -1.720668
C 0.929330 -0.002411 -0.340134
C -0.447172 0.294571 0.315523
C 1.844075 1.193275 0.024545
C 1.541396 -1.347677 0.112634
C 2.004681 2.249564 -0.905444
C 1.305723 -1.913081 1.391520
C 2.483868 1.277599 1.286957
C 2.409276 -2.022522 -0.782132
C -3.281807 -0.085852 -0.051419
C 2.796411 3.372919 -0.577019
C 1.919794 -3.130375 1.766491
C 3.268818 2.404540 1.616108
C 3.027384 -3.233676 -0.407267
C 3.426887 3.458120 0.685653
C 2.785133 -3.794212 0.869330
C -3.817016 0.265093 -1.301065
C -3.881042 0.276971 1.169574
C -5.000628 1.038916 -1.327043
C -5.063697 1.053641 1.127811
C -5.619308 1.434056 -0.117087
H -0.429788 0.374465 1.413845
H -0.891508 1.191185 -0.142544
H 1.521884 2.156680 -1.881804
H 0.641051 -1.417629 2.109729
H 2.397074 0.453583 2.003754
H 2.572796 -1.587032 -1.772404
H -0.044455 -0.595184 -2.000019
H 2.922585 4.180164 -1.307647
H 1.720204 -3.558359 2.755566
H 3.764436 2.455679 2.592282
H 3.693793 -3.744598 -1.111417
H 4.040226 4.330168 0.939711
H 3.260909 -4.738071 1.158292
H -3.309195 -0.078669 -2.210811
H -3.454543 -0.032671 2.130798
H -5.439371 1.327349 -2.288249
H -5.549073 1.353578 2.062727
H -6.537160 2.031534 -0.143330


