%chk=000180385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180385

0 1
O -0.456385 -0.942524 0.758959
O -3.390248 -0.444139 -0.843223
C 5.686124 0.478361 -0.408338
C 5.188851 -0.788228 0.329327
C 7.175084 0.311370 -0.778660
C 5.419059 1.756500 0.413414
C 3.688811 -0.841269 0.405999
C 7.664902 1.391821 -1.739642
C 6.188940 1.841420 1.728776
C 3.020918 -0.441329 1.580044
C 2.940877 -1.285928 -0.691310
C 1.634238 -0.487793 1.660688
C 1.543312 -1.342925 -0.637707
C 0.907737 -0.942187 0.541288
C -1.320039 -1.384395 -0.328593
C -2.719237 -1.152802 0.239149
C -4.681267 -0.004000 -0.623767
C -7.277955 0.993949 -0.484590
C -5.415318 -0.187628 0.550610
C -5.218521 0.672402 -1.739302
C -6.719873 0.319732 0.606979
C -6.513994 1.165422 -1.657782
C -8.669630 1.535404 -0.423676
H 5.102456 0.570673 -1.359745
H 5.635081 -0.826682 1.343394
H 5.567806 -1.694173 -0.186046
H 7.331584 -0.683815 -1.239604
H 7.794356 0.317607 0.139194
H 4.330871 1.824733 0.618576
H 5.661414 2.639476 -0.210752
H 8.712438 1.228755 -2.016169
H 7.595835 2.390270 -1.291494
H 7.078660 1.406947 -2.665246
H 5.920021 2.746934 2.283746
H 7.271811 1.867999 1.559684
H 5.978573 0.982529 2.376088
H 3.597456 -0.087571 2.435053
H 3.448705 -1.593118 -1.605340
H 1.101910 -0.182390 2.557938
H 0.985628 -1.689177 -1.500343
H -1.142140 -0.757571 -1.225162
H -1.105580 -2.443705 -0.542648
H -3.267161 -2.086419 0.444263
H -2.684690 -0.510007 1.141393
H -5.002993 -0.704478 1.409827
H -4.612920 0.795882 -2.633794
H -7.300618 0.182890 1.518476
H -6.945153 1.691230 -2.509187
H -9.300978 1.102804 -1.212574
H -9.163899 1.326391 0.533516
H -8.678061 2.626448 -0.558086


%chk=000180385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180385

0 1
O -0.448661 -0.261722 0.811966
O -3.626479 -0.029856 -0.964151
C 5.979716 0.310777 -0.435592
C 5.256987 -0.938897 0.165529
C 7.443510 -0.056249 -0.803757
C 5.865565 1.560997 0.483138
C 3.751683 -0.773897 0.318225
C 8.229879 1.076463 -1.499159
C 6.626821 1.469753 1.825807
C 3.144108 -0.603080 1.590975
C 2.904870 -0.771601 -0.818062
C 1.752229 -0.434181 1.727035
C 1.506412 -0.603076 -0.706855
C 0.929785 -0.433175 0.575632
C -1.336465 -0.248613 -0.356101
C -2.743179 -0.055323 0.207198
C -5.006172 0.135289 -0.732393
C -7.830538 0.456092 -0.491559
C -5.593409 0.271142 0.547049
C -5.819685 0.159133 -1.891814
C -6.996521 0.429392 0.650536
C -7.211512 0.317829 -1.765059
C -9.335694 0.627135 -0.373130
H 5.454658 0.563262 -1.383520
H 5.711362 -1.183230 1.145113
H 5.469074 -1.800583 -0.499887
H 7.420446 -0.941506 -1.472602
H 7.986201 -0.378914 0.107973
H 4.792802 1.746376 0.686679
H 6.228809 2.446697 -0.074356
H 9.228486 0.726389 -1.819918
H 8.380198 1.942282 -0.828893
H 7.694141 1.436814 -2.398079
H 6.472287 2.388848 2.420372
H 7.715377 1.351180 1.673311
H 6.279014 0.618190 2.439437
H 3.771283 -0.604843 2.490919
H 3.343004 -0.911450 -1.814496
H 1.285384 -0.305112 2.708511
H 0.889329 -0.612088 -1.610397
H -1.075992 0.584133 -1.038790
H -1.272056 -1.205339 -0.911030
H -3.007685 -0.893165 0.882031
H -2.807766 0.897029 0.769556
H -4.986103 0.256345 1.457078
H -5.343518 0.051987 -2.871506
H -7.444741 0.533762 1.646084
H -7.831237 0.334386 -2.670198
H -9.876638 -0.221968 -0.832191
H -9.652635 0.693993 0.682014
H -9.679935 1.545892 -0.885077


