%chk=000229799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229799

0 1
O 5.453544 -1.506365 -0.140268
O -5.018797 0.855875 1.107331
O -5.608868 -1.556563 -0.650429
C 1.189404 0.876030 -0.205720
C 0.258814 -0.198639 0.434093
C 2.591265 0.684219 0.388343
C 3.162981 -0.720115 0.009029
C -1.196827 -0.062482 -0.119286
C 0.822504 -1.625003 0.246601
C -1.692008 1.383058 0.212947
C 2.285804 -1.777889 0.698364
C 0.656511 2.293901 0.067452
C 3.716913 1.661790 0.004903
C 4.612461 -0.586022 0.573012
C -0.786783 2.450697 -0.423548
C 5.021165 0.885725 0.303462
C -2.131006 -1.061751 0.627958
C 3.235281 -0.983838 -1.499459
C -1.249498 -0.353947 -1.625719
C -3.158475 1.594638 -0.198722
C -3.571066 -0.849491 0.258817
C -4.047650 0.553738 0.454670
C -4.328585 -1.844025 -0.231910
H 1.224539 0.717905 -1.309498
H 0.220404 0.002833 1.533481
H 2.488191 0.728356 1.503823
H 0.741661 -1.916555 -0.820925
H 0.198216 -2.346247 0.806928
H -1.635822 1.508693 1.325425
H 2.356968 -1.687854 1.797245
H 2.651484 -2.793120 0.454251
H 1.304070 3.038280 -0.432797
H 0.714724 2.523609 1.148395
H 3.659375 2.597928 0.580364
H 3.659347 1.943054 -1.059952
H 4.670908 -0.842628 1.649081
H -1.160696 3.461495 -0.173504
H -0.825110 2.379929 -1.527320
H 5.710751 0.933720 -0.556790
H 5.554902 1.317142 1.162735
H -2.017288 -0.939065 1.725475
H -1.813626 -2.100386 0.412840
H 3.757774 -0.178639 -2.026006
H 3.805329 -1.904486 -1.692958
H 2.244021 -1.095599 -1.947649
H -0.665557 0.377104 -2.196623
H -0.845423 -1.345867 -1.856326
H -2.277073 -0.322614 -2.004751
H -3.275260 1.536652 -1.298801
H -3.499284 2.609935 0.085620
H 6.375783 -1.426501 0.162531
H -4.009533 -2.872162 -0.364305
H -6.115060 -2.379057 -0.847010


%chk=000229799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229799

0 1
O 5.523846 -1.650648 0.211069
O -5.386562 0.883429 0.418019
O -5.827815 -1.871058 -0.067439
C 1.219909 0.899526 -0.258237
C 0.259247 -0.214751 0.282268
C 2.625574 0.667658 0.330305
C 3.222930 -0.729593 -0.023419
C -1.221215 -0.032449 -0.233725
C 0.838127 -1.644388 0.058244
C -1.696213 1.401942 0.189121
C 2.294003 -1.811969 0.571255
C 0.686956 2.307835 0.102071
C 3.770914 1.665430 0.001887
C 4.606665 -0.594266 0.664127
C -0.772185 2.517045 -0.350098
C 5.078845 0.856828 0.314451
C -2.154415 -1.040012 0.506838
C 3.426407 -0.953780 -1.545102
C -1.336750 -0.258302 -1.763675
C -3.169492 1.675635 -0.183442
C -3.647928 -0.812802 0.263536
C -4.172680 0.581832 0.209125
C -4.449829 -1.916060 0.122394
H 1.279499 0.823243 -1.364495
H 0.213987 -0.060481 1.388107
H 2.499525 0.678610 1.439443
H 0.803087 -1.900302 -1.018139
H 0.200448 -2.387327 0.574146
H -1.622477 1.428501 1.300465
H 2.302154 -1.724378 1.678750
H 2.666243 -2.824900 0.324505
H 1.339470 3.081643 -0.347134
H 0.749792 2.439911 1.204134
H 3.698009 2.589604 0.601693
H 3.735180 1.965582 -1.062691
H 4.462740 -0.682398 1.765530
H -1.141295 3.500922 0.003127
H -0.825766 2.545370 -1.457611
H 5.740281 0.810494 -0.570602
H 5.657826 1.309416 1.140441
H -1.945264 -0.951838 1.595574
H -1.894000 -2.077282 0.220567
H 4.012062 -0.141534 -2.010768
H 3.984890 -1.892145 -1.701131
H 2.466640 -1.023518 -2.084231
H -0.745380 0.472763 -2.341741
H -0.979996 -1.267616 -2.036892
H -2.385951 -0.185187 -2.100648
H -3.258527 1.807642 -1.282984
H -3.519214 2.624672 0.263980
H 6.386663 -1.552041 0.685782
H -3.992293 -2.919531 0.136770
H -6.190872 -2.775580 -0.238621


