%chk=000222818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222818

0 1
O -0.016255 2.565151 -0.376323
O -0.707491 -3.321254 0.778677
O 1.278742 -3.211943 -0.303448
O -2.786076 -2.900021 1.597754
O -5.744042 1.160980 -0.762482
O 5.726903 -0.665272 0.443138
C -0.333723 1.222909 0.102437
C 0.178911 0.057362 -0.820462
C -1.804624 1.022418 0.568603
C 0.652706 2.097693 0.845996
C 1.652110 0.296136 -1.143728
C -2.443726 -0.107830 -0.333530
C 2.562815 0.584870 0.097842
C -0.199688 -1.188011 0.018577
C -1.716498 -1.468120 -0.165086
C 2.150696 1.942135 0.709923
C -0.733879 0.201448 -2.037719
C -2.585028 2.334827 0.328671
C 2.412327 -0.760947 -1.955185
C -2.051516 0.215666 -1.785192
C 3.971584 0.617671 -0.584349
C -3.944945 -0.260436 -0.125031
C -1.825556 0.637654 2.050570
C 3.903273 -0.468003 -1.687465
C 2.528492 -0.493381 1.182880
C 0.315296 -2.608486 0.038028
C -1.919437 -2.555475 0.860558
C -4.081075 2.202476 0.598145
C -4.695521 1.055385 -0.171101
C 5.127842 0.383138 0.378295
C 5.512477 1.559369 1.235145
H 0.319002 2.629889 1.742602
H 1.659776 1.246620 -1.757141
H 0.007109 -0.867087 1.102890
H -1.892188 -2.020585 -1.144046
H 2.519890 2.777382 0.073839
H 2.641343 2.081444 1.693539
H -0.280105 0.355683 -3.007236
H -2.415802 2.674087 -0.717801
H -2.159087 3.145015 0.953418
H 2.170389 -0.701921 -3.028140
H 2.160538 -1.791267 -1.641772
H -2.834261 0.390506 -2.509128
H 4.119155 1.612367 -1.067752
H -4.153127 -0.755503 0.851534
H -4.377835 -0.954412 -0.879102
H -1.098567 -0.149495 2.289900
H -1.598914 1.495179 2.695324
H -2.812194 0.266010 2.357355
H 4.428240 -1.388234 -1.356522
H 4.421146 -0.130947 -2.598972
H 3.282275 -0.322696 1.961234
H 1.560098 -0.537734 1.694717
H 2.745450 -1.488392 0.761759
H -4.600292 3.149000 0.332289
H -4.279031 2.058404 1.680517
H 6.025061 2.329657 0.643616
H 4.649744 2.032757 1.717470
H 6.213392 1.254364 2.027672


%chk=000222818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222818

0 1
O 0.082722 2.514253 -0.240990
O -0.897922 -3.435624 0.806995
O 1.139627 -3.372308 -0.358268
O -3.014757 -2.821496 1.652496
O -5.681307 1.344545 -1.155455
O 5.835451 -0.447363 0.590596
C -0.340371 1.143160 0.217842
C 0.187252 -0.003306 -0.731818
C -1.856614 1.004505 0.616892
C 0.650314 1.929107 1.040557
C 1.686411 0.236977 -1.025719
C -2.491284 -0.103237 -0.342726
C 2.619851 0.460949 0.217555
C -0.270989 -1.278222 0.069098
C -1.801729 -1.483219 -0.134244
C 2.164391 1.717197 1.011907
C -0.685891 0.187803 -1.981959
C -2.583749 2.355624 0.332874
C 2.448261 -0.764567 -1.932136
C -2.028824 0.225400 -1.776331
C 3.988232 0.657187 -0.566556
C -4.034318 -0.199391 -0.226104
C -2.019745 0.635763 2.119497
C 3.958731 -0.456028 -1.657984
C 2.713621 -0.752402 1.178816
C 0.171437 -2.739661 0.055018
C -2.078427 -2.559910 0.898199
C -4.125402 2.272958 0.491065
C -4.712248 1.162577 -0.373078
C 5.243618 0.630882 0.310149
C 5.757510 1.968418 0.830876
H 0.263840 2.446036 1.931223
H 1.688675 1.215071 -1.554111
H -0.121535 -1.019088 1.137224
H -1.934212 -2.027381 -1.094855
H 2.592626 2.637848 0.566465
H 2.534167 1.662327 2.054012
H -0.214890 0.383220 -2.950540
H -2.337481 2.687150 -0.690524
H -2.186036 3.134293 1.008901
H 2.187244 -0.619358 -2.996019
H 2.213589 -1.809849 -1.677108
H -2.763101 0.426183 -2.564413
H 3.928996 1.656586 -1.044758
H -4.308492 -0.624373 0.759753
H -4.439484 -0.881453 -0.995508
H -1.406930 -0.227740 2.431046
H -1.727814 1.489822 2.756983
H -3.065888 0.385161 2.365049
H 4.487473 -1.347391 -1.279262
H 4.488354 -0.122841 -2.567816
H 3.560167 -0.628693 1.876375
H 1.804248 -0.839981 1.800007
H 2.869180 -1.704863 0.647758
H -4.597226 3.230282 0.211352
H -4.389598 2.067065 1.548610
H 6.143436 2.572621 -0.013719
H 4.943815 2.555959 1.295146
H 6.569329 1.811013 1.557871


