%chk=000238386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238386

0 1
O 3.952882 -0.297915 0.243636
O 4.068846 1.610473 -0.967773
C -1.465742 0.197322 -0.460682
C -0.909675 -1.072451 0.252468
C 0.486313 -1.351844 -0.320863
C -2.896213 0.545438 0.071061
C 1.457385 -0.167648 -0.005932
C -3.807493 -0.697033 -0.190673
C -0.491844 1.391550 -0.342587
C 0.946809 1.060135 -0.774493
C -1.849300 -2.273784 0.048691
C 2.797988 -0.769455 -0.525531
C 1.263220 -2.599581 0.136366
C -3.272116 -1.951927 0.520060
C -3.477787 1.732987 -0.744750
C 2.734213 -2.281589 -0.219451
C -5.269970 -0.419674 0.202737
C -2.848574 0.917268 1.562215
C 1.585900 0.144687 1.490698
C -4.949007 2.016328 -0.412758
C -5.826404 0.770194 -0.590233
C 4.497709 0.923803 -0.070355
C 5.636073 1.192985 0.879690
C 6.830335 1.776938 0.137878
H -1.563947 -0.044920 -1.547714
H -0.831085 -0.866103 1.347598
H 0.377869 -1.425480 -1.434563
H -3.787205 -0.895156 -1.292508
H -0.483431 1.764653 0.700270
H -0.864960 2.231572 -0.959179
H 0.986387 0.880056 -1.864907
H 1.613110 1.928581 -0.603576
H -1.460919 -3.149634 0.600702
H -1.864195 -2.570538 -1.017121
H 2.990480 -0.536184 -1.589642
H 0.910382 -3.511293 -0.368563
H 1.144385 -2.772533 1.218822
H -3.936445 -2.812651 0.318788
H -3.288229 -1.808478 1.616665
H -3.379469 1.520501 -1.825890
H -2.879954 2.644424 -0.559061
H 3.413754 -2.526420 0.617816
H 3.079359 -2.872821 -1.081718
H -5.342369 -0.218849 1.288247
H -5.888092 -1.316970 0.016835
H -2.262066 1.826575 1.728198
H -3.853799 1.096422 1.959159
H -2.396363 0.118405 2.160136
H 2.195848 1.039085 1.652752
H 0.605987 0.318966 1.950219
H 2.067012 -0.677836 2.032040
H -5.323395 2.833731 -1.057190
H -5.032584 2.386232 0.627531
H -6.861058 0.988327 -0.267228
H -5.890598 0.507600 -1.663646
H 5.277699 1.896255 1.662894
H 5.919270 0.261806 1.417378
H 6.541870 2.658623 -0.453977
H 7.616813 2.087089 0.835759
H 7.270986 1.051655 -0.557844


%chk=000238386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238386

0 1
O 4.032025 -0.225804 0.345843
O 4.320791 1.148054 -1.527698
C -1.458231 0.249572 -0.224410
C -0.960413 -1.103969 0.390264
C 0.492253 -1.349907 -0.065511
C -2.961953 0.563259 0.143002
C 1.476756 -0.210705 0.354550
C -3.825372 -0.660198 -0.342266
C -0.475149 1.417139 0.081466
C 0.997337 1.104524 -0.302184
C -1.885369 -2.276851 -0.016866
C 2.785961 -0.817161 -0.227458
C 1.221019 -2.654837 0.358241
C -3.368228 -1.988672 0.300407
C -3.450452 1.822169 -0.644579
C 2.738413 -2.328715 0.134719
C -5.347336 -0.422549 -0.192042
C -3.122178 0.817741 1.668034
C 1.608249 -0.046261 1.891485
C -4.972553 2.080409 -0.524366
C -5.798838 0.845542 -0.952993
C 4.696501 0.755174 -0.399167
C 5.910217 1.261417 0.368637
C 6.906444 2.021803 -0.525870
H -1.442711 0.103034 -1.331551
H -0.975002 -1.027659 1.498386
H 0.473584 -1.342845 -1.181606
H -3.627579 -0.749789 -1.437022
H -0.524318 1.678034 1.156319
H -0.792785 2.321225 -0.470805
H 1.080170 1.010789 -1.404548
H 1.646160 1.953442 -0.009755
H -1.558069 -3.205654 0.490146
H -1.777585 -2.454226 -1.108984
H 2.815395 -0.650947 -1.321042
H 0.894220 -3.525964 -0.235499
H 1.017212 -2.890301 1.419983
H -4.002763 -2.816476 -0.075966
H -3.521073 -1.952909 1.398127
H -3.194390 1.686761 -1.717798
H -2.904118 2.720622 -0.298186
H 3.335007 -2.504075 1.047169
H 3.183275 -2.941912 -0.668051
H -5.618910 -0.336805 0.879893
H -5.890273 -1.308993 -0.578344
H -2.602553 1.746819 1.966474
H -4.181771 0.934438 1.953909
H -2.709128 -0.005515 2.276584
H 2.368824 0.720517 2.122352
H 0.657344 0.270222 2.351315
H 1.926052 -0.981054 2.385537
H -5.247460 2.955380 -1.145958
H -5.226770 2.349312 0.520515
H -6.878990 1.030943 -0.792639
H -5.660283 0.678656 -2.041828
H 5.534366 1.920886 1.176875
H 6.384575 0.402809 0.876912
H 6.401359 2.842161 -1.063003
H 7.724377 2.446363 0.082476
H 7.349315 1.353433 -1.284722


