%chk=000198749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198749

0 1
O 0.864734 -0.392080 2.198052
O 0.506839 -1.633432 -2.416134
C 3.002000 0.154477 0.001093
C 2.264949 -1.155630 -0.317351
C 4.516781 0.006140 -0.180231
C 0.779884 -1.036646 -0.152882
C 5.252372 1.309099 0.159474
C -3.556117 -0.855345 0.274796
C -4.071751 0.556109 -0.048726
C -2.060269 -0.916589 0.127469
C -5.596555 0.640288 0.090067
C 0.158328 -0.693809 1.064383
C -0.094981 -1.301859 -1.224190
C 6.769428 1.162008 -0.024632
C -1.236887 -0.635041 1.220886
C -1.490258 -1.248515 -1.112301
C -6.110103 2.050890 -0.231908
C 7.506897 2.455635 0.313569
C -7.628289 2.143163 -0.097135
H 2.615486 0.963759 -0.649968
H 2.774326 0.475791 1.042607
H 2.499295 -1.465943 -1.361389
H 2.644038 -1.981370 0.319784
H 4.897436 -0.818121 0.453206
H 4.740966 -0.290518 -1.224020
H 4.876164 2.132413 -0.478298
H 5.029362 1.611414 1.200570
H -4.043422 -1.599380 -0.387430
H -3.856155 -1.140943 1.304235
H -3.765418 0.838769 -1.075016
H -3.586375 1.291594 0.623397
H -5.900092 0.357035 1.116438
H -6.080407 -0.096351 -0.579624
H 7.148406 0.338684 0.612008
H 6.994851 0.865541 -1.067895
H -1.647809 -0.366970 2.190519
H -2.123397 -1.457341 -1.965614
H -5.629873 2.788772 0.440604
H -5.807939 2.336810 -1.258496
H 8.588289 2.341953 0.177918
H 7.181932 3.284718 -0.325391
H 7.336938 2.757956 1.353180
H -7.958886 1.903109 0.919878
H -7.985234 3.153328 -0.327423
H -8.137525 1.452271 -0.778516
H 1.853584 -0.338795 2.023929
H -0.157043 -1.808848 -3.128194


%chk=000198749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198749

0 1
O 0.782820 -1.021652 2.424391
O 0.687423 -1.513123 -2.417515
C 2.972586 0.060527 -0.036058
C 2.305109 -1.344105 -0.090517
C 4.515597 -0.005664 -0.035610
C 0.788825 -1.279124 -0.028142
C 5.179685 1.388990 0.000743
C -3.595252 -0.920055 0.131506
C -4.039415 0.561830 -0.021832
C -2.083218 -1.083443 0.082739
C -5.572962 0.740400 0.027599
C 0.093093 -1.108445 1.198784
C -0.008453 -1.347542 -1.197877
C 6.724664 1.332405 0.012175
C -1.314124 -1.015088 1.265743
C -1.417914 -1.254467 -1.157323
C -6.016863 2.212484 -0.131924
C 7.377770 2.730871 0.047513
C -7.549971 2.389554 -0.079625
H 2.627167 0.641366 -0.913246
H 2.623787 0.617598 0.858184
H 2.603646 -1.839927 -1.030025
H 2.711141 -1.978446 0.729530
H 4.864056 -0.598858 0.837037
H 4.858195 -0.552269 -0.938834
H 4.842023 1.978354 -0.877219
H 4.828354 1.940857 0.897897
H -4.069758 -1.516656 -0.673073
H -3.985497 -1.309548 1.092027
H -3.647996 0.959738 -0.980137
H -3.566961 1.164153 0.779951
H -5.959851 0.344011 0.989988
H -6.042607 0.128099 -0.771168
H 7.061112 0.743652 0.890252
H 7.075443 0.780967 -0.884139
H -1.787861 -0.889240 2.244230
H -2.003581 -1.314096 -2.084953
H -5.545134 2.822826 0.664925
H -5.630491 2.606758 -1.094073
H 8.481295 2.663486 0.056215
H 7.082403 3.328488 -0.835604
H 7.066117 3.291052 0.949419
H -7.957547 2.036362 0.886517
H -7.839937 3.449596 -0.200729
H -8.043612 1.810150 -0.882806
H 1.756961 -1.119508 2.279659
H 0.048233 -1.575120 -3.169295


