%chk=000236826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236826

0 1
O -3.428629 2.363042 -1.892932
O -5.121037 0.180645 0.601367
O 6.151831 -0.545230 -1.349973
O -5.475705 -2.465022 0.396315
C -0.848949 1.039615 -0.276273
C -1.796833 -0.155320 0.074230
C 0.464734 0.937578 0.511222
C 1.175664 -0.373360 0.054067
C -3.093395 0.251866 -0.700850
C 2.549108 -0.543875 0.781999
C -1.117522 -1.443605 -0.423310
C -1.743430 2.274058 -0.104371
C 0.259535 -1.601134 0.244809
C -3.129626 1.812635 -0.612727
C 1.356077 2.169375 0.279080
C -2.110849 -0.261746 1.572551
C 3.350671 0.721602 0.468511
C 2.728365 2.003963 0.950221
C 3.292683 -1.818151 0.295744
C 2.376669 -0.670817 2.307514
C -4.336330 -0.383248 -0.127499
C 4.048862 -1.636082 -1.017211
C 4.479086 0.727633 -0.256263
C 5.027811 -0.481457 -0.901962
C -4.587156 -1.836179 -0.523780
H -0.587218 0.971175 -1.364380
H 0.242258 0.864272 1.604938
H 1.398488 -0.280543 -1.038424
H -3.001978 -0.037347 -1.773896
H -1.003856 -1.425573 -1.522889
H -1.745044 -2.328174 -0.198887
H -1.798656 2.597641 0.949149
H -1.379704 3.147250 -0.669710
H 0.121415 -1.803932 1.325203
H 0.764138 -2.499880 -0.165675
H -3.976857 2.178983 0.010725
H 0.856485 3.074966 0.672311
H 1.494235 2.346466 -0.805528
H -2.725674 0.575862 1.926112
H -2.655980 -1.182768 1.811581
H -1.196193 -0.263551 2.178715
H 2.627185 1.999169 2.054359
H 3.368243 2.879745 0.721089
H 2.575553 -2.657886 0.198032
H 4.014925 -2.138744 1.075886
H 1.723424 0.110690 2.713721
H 1.932281 -1.634168 2.581960
H 3.340023 -0.595461 2.825812
H 3.356096 -1.437740 -1.858730
H 4.588469 -2.565404 -1.290279
H 5.054155 1.636197 -0.438853
H -2.696134 2.236096 -2.525258
H -3.669778 -2.458409 -0.481105
H -5.025645 -1.899187 -1.539641
H -6.132093 -1.801030 0.738687


%chk=000236826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236826

0 1
O -3.628486 2.385609 -1.719783
O -5.087433 -0.205559 0.695197
O 5.861304 -0.513720 -2.019563
O -5.917270 -2.393552 -0.623451
C -0.856477 0.991367 -0.125735
C -1.805284 -0.189872 0.271954
C 0.507474 0.939944 0.594814
C 1.206511 -0.415567 0.225522
C -3.057978 0.195179 -0.614651
C 2.659683 -0.522041 0.858585
C -1.112456 -1.518153 -0.115445
C -1.754922 2.242816 0.000824
C 0.290772 -1.632087 0.542299
C -3.165976 1.757814 -0.473489
C 1.387405 2.162118 0.236560
C -2.184338 -0.192102 1.776505
C 3.409195 0.737106 0.395238
C 2.816702 2.054767 0.847068
C 3.435411 -1.797920 0.406496
C 2.598765 -0.569201 2.417038
C -4.338637 -0.531683 -0.272311
C 3.977480 -1.740450 -1.035401
C 4.445892 0.703570 -0.503973
C 4.868176 -0.512649 -1.229587
C -4.747410 -1.722328 -1.139946
H -0.637504 0.851498 -1.212013
H 0.327503 0.965337 1.689700
H 1.349571 -0.394766 -0.879647
H -2.789916 -0.044263 -1.666041
H -0.998174 -1.563124 -1.219493
H -1.726258 -2.390713 0.184400
H -1.798277 2.594718 1.047935
H -1.415470 3.096443 -0.612355
H 0.176552 -1.743817 1.637291
H 0.765130 -2.563027 0.181193
H -3.959401 2.017409 0.244354
H 0.903137 3.091676 0.591248
H 1.477985 2.240383 -0.866650
H -2.735298 0.715654 2.074183
H -2.839190 -1.050770 2.007395
H -1.292502 -0.273681 2.419918
H 2.743675 2.112713 1.950102
H 3.439065 2.902382 0.508675
H 2.804384 -2.694488 0.544055
H 4.297629 -1.921522 1.092055
H 1.941261 0.200977 2.853418
H 2.231213 -1.555604 2.753347
H 3.609351 -0.429741 2.842463
H 3.146644 -1.675454 -1.768203
H 4.557390 -2.645247 -1.288341
H 4.966682 1.628654 -0.784403
H -2.919739 2.298639 -2.408127
H -3.903242 -2.440114 -1.203714
H -4.935083 -1.339992 -2.168726
H -6.261021 -1.828066 0.126719


