%chk=000197617.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197617

0 1
O 3.045928 -0.851733 0.057229
O 1.090366 -1.823468 0.489225
O 3.065212 0.789402 2.735682
O 0.324876 1.376484 0.547251
O 2.882809 2.448283 -0.536580
O 6.164380 -0.195066 -0.662386
O 5.517589 -0.503028 1.465175
O -2.006639 -0.293917 0.030085
N 0.391653 -2.426206 -0.607635
C 2.429398 1.351214 1.605229
C 1.248983 0.461698 1.149490
C 3.437670 1.597196 0.457961
C 1.625744 -0.562014 0.053332
C 3.888486 0.279822 -0.228251
C 5.228768 -0.190432 0.336758
C -1.052755 -2.449511 -0.188693
C -1.778815 -1.337604 -0.974438
C -1.672991 -3.821047 -0.446712
C -3.156027 0.475822 -0.203737
C -4.329428 0.136640 0.496585
C -3.077552 1.601315 -1.046666
C -5.453267 0.961064 0.337164
C -4.222407 2.399904 -1.183353
C -4.381595 -1.054517 1.391510
C -1.821767 1.944012 -1.772398
C -5.397084 2.079010 -0.498101
H 2.030470 2.327767 1.987167
H 0.785482 -0.042479 2.029134
H 4.320731 2.175846 0.827386
H 1.306910 -0.271003 -0.966873
H 3.932283 0.414492 -1.338261
H 3.570658 -0.038921 2.497022
H -0.585790 0.947114 0.460432
H 1.903277 2.296897 -0.632376
H -1.136042 -2.196441 0.910691
H 0.802022 -3.369289 -0.634030
H -2.741877 -1.667809 -1.393012
H -1.159553 -0.886815 -1.769032
H -2.737404 -3.831444 -0.176630
H -1.603314 -4.118279 -1.501148
H -1.190622 -4.606141 0.149901
H 7.062356 -0.500498 -0.352391
H -6.372849 0.726875 0.870367
H -4.193009 3.278287 -1.825976
H -4.676060 -0.772407 2.413265
H -3.402662 -1.552437 1.468251
H -5.108891 -1.795594 1.033890
H -1.834802 1.551760 -2.798990
H -0.927993 1.534873 -1.269512
H -1.670338 3.031073 -1.842015
H -6.278019 2.710252 -0.614284


%chk=000197617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197617

0 1
O 2.728806 -1.146567 0.931725
O 0.395277 -1.485483 0.728036
O 2.863493 1.041713 2.975237
O 0.496218 1.679512 0.221007
O 3.105204 1.700537 -0.738170
O 6.232012 -0.732246 0.636155
O 4.982658 -0.984977 2.577569
O -1.648990 0.307532 -0.726604
N 0.150917 -2.390298 -0.453836
C 2.464542 1.452830 1.638086
C 1.155717 0.761561 1.164205
C 3.562433 1.216384 0.566155
C 1.460416 -0.568595 0.435019
C 3.870755 -0.328796 0.466179
C 5.039221 -0.728224 1.354708
C -1.274232 -2.211051 -0.877121
C -1.452089 -0.867992 -1.619298
C -1.597912 -3.382968 -1.832159
C -3.010398 0.647536 -0.413790
C -3.445797 0.496309 0.930728
C -3.835680 1.200703 -1.432969
C -4.785726 0.855903 1.226570
C -5.165060 1.546652 -1.085369
C -2.516334 0.032464 2.036082
C -3.318446 1.464145 -2.837429
C -5.644466 1.363623 0.229277
H 2.254549 2.532512 1.716694
H 0.529111 0.565022 2.053469
H 4.486531 1.763482 0.823692
H 1.543820 -0.416920 -0.660669
H 4.111660 -0.543897 -0.591392
H 3.199084 0.101894 2.970293
H -0.350141 1.247535 -0.131411
H 2.126256 1.928820 -0.676262
H -1.966832 -2.239656 -0.008397
H 0.282230 -3.334865 -0.044119
H -2.321647 -0.933099 -2.296380
H -0.543762 -0.651514 -2.208447
H -2.651771 -3.331410 -2.155496
H -0.950700 -3.354622 -2.726985
H -1.448899 -4.358262 -1.333332
H 6.992406 -0.931038 1.248129
H -5.147600 0.739655 2.254907
H -5.818124 1.979355 -1.852563
H -2.002232 0.902071 2.491392
H -1.728570 -0.646023 1.672756
H -3.081795 -0.468725 2.840826
H -3.513041 0.615296 -3.522185
H -2.231266 1.651328 -2.837185
H -3.819422 2.347141 -3.269947
H -6.675885 1.634714 0.479316


