%chk=000241762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241762

0 1
O 4.980790 -0.648106 0.011128
O 0.459899 -2.294294 -1.521019
O -5.164606 -0.476678 1.783161
C 2.581258 -0.411589 -0.044400
C 1.679503 0.806691 0.324241
C 0.365185 0.779877 -0.470086
C -0.409964 -0.496157 -0.034894
C 3.896487 -0.043293 0.739495
C -1.809936 -0.565283 -0.725059
C 1.855581 -1.693931 0.386367
C 0.422441 -1.797923 -0.179258
C 2.611037 2.023352 0.181001
C -0.458322 2.052845 -0.198682
C 3.997418 1.508202 0.624159
C -1.862881 1.984355 -0.839620
C -2.525956 0.727916 -0.309565
C 2.938532 -0.477910 -1.537518
C -2.604785 -1.818929 -0.271009
C 3.957954 -0.521398 2.187808
C -1.713208 -0.632300 -2.259038
C -3.216955 -1.691720 1.120010
C -3.573255 0.742499 0.526983
C -2.639670 3.275076 -0.574601
C -4.108426 -0.465870 1.186617
H 1.414117 0.725903 1.410741
H 0.580092 0.723685 -1.563179
H -0.611777 -0.397737 1.065765
H 1.808938 -1.767373 1.487925
H 2.432612 -2.581125 0.052513
H -0.120559 -2.634059 0.332886
H 2.275195 2.868859 0.801315
H 2.638609 2.390380 -0.858887
H 0.081526 2.935389 -0.589456
H -0.558307 2.220620 0.891069
H 4.771807 1.772100 -0.117038
H 4.307119 1.968764 1.573774
H -1.748951 1.884772 -1.951755
H 2.062862 -0.662783 -2.173701
H 3.412210 0.447337 -1.884777
H 3.670527 -1.281513 -1.716150
H -1.952854 -2.714473 -0.324121
H -3.418676 -2.016054 -1.000295
H 3.994966 -1.617351 2.238284
H 4.847692 -0.145858 2.704833
H 3.088246 -0.186901 2.764381
H -2.696837 -0.526303 -2.728705
H -1.061405 0.144061 -2.672073
H -1.296692 -1.602964 -2.574111
H 5.821111 -0.567296 0.495917
H -2.436933 -1.613090 1.902069
H -3.800533 -2.599280 1.375689
H -4.097042 1.659906 0.799985
H 1.004980 -1.702175 -2.098723
H -2.135522 4.139199 -1.021687
H -3.648367 3.227716 -1.003690
H -2.748976 3.480315 0.497083


%chk=000241762-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241762

0 1
O 5.031837 -0.831630 0.236020
O 0.495981 -2.429244 -1.573401
O -4.986373 -0.539095 2.118664
C 2.613738 -0.421312 -0.038942
C 1.717301 0.827994 0.226130
C 0.374366 0.789219 -0.536326
C -0.398373 -0.508863 -0.128576
C 3.900102 -0.048446 0.789581
C -1.835875 -0.565451 -0.801007
C 1.845554 -1.684134 0.419785
C 0.436833 -1.827873 -0.222694
C 2.678194 2.026675 0.014372
C -0.468413 2.052092 -0.223564
C 4.063654 1.496606 0.518188
C -1.927416 2.016476 -0.789281
C -2.547252 0.710032 -0.309565
C 3.037973 -0.529293 -1.535732
C -2.646784 -1.829726 -0.387525
C 3.810114 -0.345849 2.301474
C -1.778564 -0.578554 -2.361635
C -3.167848 -1.801896 1.062228
C -3.573223 0.674303 0.602388
C -2.689392 3.298491 -0.401757
C -4.009904 -0.549627 1.306484
H 1.450346 0.808330 1.307441
H 0.578184 0.779108 -1.626511
H -0.582852 -0.398214 0.966207
H 1.695977 -1.641343 1.516644
H 2.420361 -2.604615 0.204677
H -0.105743 -2.606275 0.343265
H 2.351441 2.926187 0.564835
H 2.724300 2.298511 -1.057543
H 0.044124 2.950411 -0.619430
H -0.534562 2.176036 0.878661
H 4.850507 1.646230 -0.242948
H 4.386703 2.023597 1.435078
H -1.852677 1.985389 -1.895447
H 2.180607 -0.405675 -2.225569
H 3.772174 0.246685 -1.807963
H 3.523484 -1.500753 -1.724870
H -2.041951 -2.733748 -0.575936
H -3.521597 -1.898851 -1.064820
H 3.734520 -1.431156 2.486458
H 4.720657 0.024822 2.812289
H 2.947722 0.154851 2.777259
H -2.785603 -0.379236 -2.774069
H -1.090253 0.171910 -2.785388
H -1.443283 -1.571453 -2.701105
H 5.831075 -0.668484 0.798242
H -2.327022 -1.793135 1.787275
H -3.778766 -2.691814 1.295196
H -4.087393 1.591923 0.910112
H 1.138768 -1.924287 -2.129727
H -2.183590 4.183220 -0.829982
H -3.727390 3.285443 -0.780594
H -2.727199 3.433594 0.695055


