%chk=000259717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259717

0 1
S 0.712010 -2.321819 -0.229321
O 1.123089 -0.045948 1.093962
O -1.065243 -0.827468 -1.302379
O -0.726025 2.038154 -1.272038
O -1.593976 -0.199438 2.215802
O 2.977687 1.882896 -0.637452
O -2.615275 0.138748 -2.651040
O -2.565854 3.027868 -0.403129
O -3.409863 -1.525182 2.478526
O 1.844819 -3.553795 1.800545
O 4.429347 1.875970 1.104081
C -1.475103 -0.005108 -0.169905
C -0.574408 1.242933 -0.072054
C -1.194652 -0.933933 1.027717
C 0.914503 0.845804 -0.041773
C 0.311118 -1.180572 1.184346
C 1.844146 2.020403 0.264404
C -1.711131 -0.649935 -2.517314
C -1.861542 2.846110 -1.363921
C -2.759515 -0.591338 2.872559
C 1.723772 -3.578558 0.612433
C -1.100900 -1.571361 -3.510343
C -1.964777 3.346146 -2.754928
C 4.242333 1.776379 -0.082690
C -2.962954 0.318761 4.026118
C 2.282011 -4.544594 -0.361092
C 5.218986 1.563094 -1.185117
H -2.549694 0.270519 -0.271315
H -0.874873 1.846208 0.820982
H -1.782505 -1.885441 0.957150
H 1.216619 0.317081 -0.977772
H 0.606255 -1.625293 2.169404
H 1.400840 2.996081 -0.005173
H 2.183738 2.016100 1.323579
H -1.876281 -2.161478 -4.024797
H -0.551400 -1.006448 -4.280454
H -0.388593 -2.277169 -3.048095
H -2.522727 4.293203 -2.803025
H -0.982410 3.489162 -3.230716
H -2.511671 2.601344 -3.370074
H -3.834926 0.974033 3.857094
H -2.093295 0.973679 4.208732
H -3.157462 -0.251848 4.948996
H 2.882966 -5.319431 0.145568
H 1.494708 -5.065975 -0.930236
H 2.938667 -4.056765 -1.100394
H 6.012438 2.326665 -1.156599
H 5.708745 0.581359 -1.082117
H 4.747159 1.599896 -2.180036


%chk=000259717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259717

0 1
S 0.884292 -2.708966 -0.237103
O 1.201097 -0.193046 0.981326
O -1.264012 -0.785317 -1.480713
O -0.737157 2.039581 -1.303730
O -1.524034 -0.416173 2.204545
O 3.275383 1.307030 -0.564935
O -3.045484 0.367213 -2.467692
O -2.429005 3.078712 -0.073984
O -3.650074 -1.361768 1.987100
O 2.035583 -3.517954 2.141554
O 4.176810 3.415908 -0.157803
C -1.458984 -0.049684 -0.204283
C -0.493517 1.150227 -0.145833
C -1.131991 -1.060656 0.914787
C 0.971171 0.673529 -0.204801
C 0.367603 -1.366421 1.048197
C 1.960230 1.821852 -0.102071
C -2.131778 -0.478919 -2.549586
C -1.812782 2.951512 -1.151679
C -2.855690 -0.642741 2.627437
C 1.961953 -3.729239 0.914131
C -1.766510 -1.306693 -3.758604
C -2.082542 3.666999 -2.448567
C 4.329881 2.228665 -0.523264
C -3.131525 0.118336 3.900392
C 2.723329 -4.809152 0.173211
C 5.627581 1.575484 -0.943141
H -2.508521 0.284604 -0.136753
H -0.685444 1.698720 0.795793
H -1.724570 -1.980785 0.772554
H 1.149092 0.086046 -1.126570
H 0.595157 -1.832629 2.022939
H 1.654925 2.663995 -0.746516
H 2.051668 2.175318 0.940179
H -2.604447 -1.312467 -4.470721
H -0.882014 -0.863847 -4.251865
H -1.502353 -2.334096 -3.462058
H -2.605626 4.614840 -2.253517
H -1.151392 3.844583 -3.009033
H -2.735905 3.019781 -3.062834
H -3.350851 1.173203 3.652558
H -2.252729 0.106270 4.564037
H -4.006809 -0.312649 4.408123
H 2.896537 -5.668899 0.841022
H 2.194626 -5.133731 -0.737843
H 3.707991 -4.405113 -0.129173
H 6.293298 2.328733 -1.391378
H 6.130173 1.160529 -0.050179
H 5.446270 0.748972 -1.646959


