%chk=000285349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285349

0 1
O 1.308178 -1.685324 0.065512
O 3.059095 -0.041099 -2.038428
O -4.556046 -0.105416 1.197089
O -5.129882 1.487390 -0.467836
O 0.487400 -2.910796 -1.639321
N 0.637707 2.960731 0.665707
C 1.337960 1.645761 0.733241
C 0.334870 0.445577 0.512748
C 1.961355 1.632921 2.156474
C 0.955970 -0.438311 -0.608566
C 1.364117 3.934386 1.550535
C 2.268902 3.102653 2.481267
C 2.425360 1.422156 -0.308294
C -1.090035 0.809476 0.186173
C 0.380347 3.504108 -0.698525
C 2.225105 0.293984 -1.010822
C -0.377117 2.487693 -1.574136
C -1.433379 1.750877 -0.798359
C -2.094781 0.123767 0.923925
C -2.790557 2.052551 -1.092992
C -3.401660 0.424754 0.626631
C -3.746699 1.379153 -0.371819
C 0.968318 -2.882096 -0.530939
C 1.323405 -4.049432 0.413503
C 2.917242 -1.365681 -2.611680
C -5.675670 0.556670 0.523914
C 0.895554 -5.351872 -0.270170
C 0.559227 -3.845993 1.726445
C 2.839082 -4.022461 0.642470
H 0.344003 -0.166336 1.453931
H 2.862395 1.000915 2.195777
H 1.246041 1.218125 2.888506
H 0.273746 -0.654267 -1.458130
H 0.586239 4.481982 2.123573
H 1.953130 4.684957 0.989248
H 2.070975 3.328553 3.541722
H 3.333567 3.331559 2.303993
H 3.236200 2.118291 -0.411620
H 1.307722 3.818100 -1.226426
H -0.250130 4.412669 -0.562026
H 0.337680 1.768098 -2.024408
H -0.818972 3.025152 -2.437989
H -1.839223 -0.601135 1.691240
H -3.056012 2.787116 -1.847250
H 1.887910 -1.549236 -2.942446
H 3.240083 -2.114227 -1.882933
H 3.604465 -1.316729 -3.464824
H -6.219500 1.145501 1.273837
H -6.246676 -0.210834 -0.014176
H -0.184145 -5.370873 -0.469114
H 1.133509 -6.221988 0.351066
H 1.393059 -5.487345 -1.238929
H -0.526564 -3.848278 1.573355
H 0.787682 -4.642231 2.444160
H 0.824361 -2.889889 2.198325
H 3.164883 -3.053767 1.047816
H 3.142552 -4.794676 1.359150
H 3.399150 -4.201432 -0.281775


%chk=000285349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285349

0 1
O 1.492102 -1.711050 0.007623
O 3.549788 0.012941 -1.685221
O -4.381175 -0.296255 1.538635
O -5.124713 1.103210 -0.263350
O 0.386989 -2.711528 -1.787398
N 0.683349 3.079630 0.483315
C 1.391927 1.801084 0.791272
C 0.515900 0.500623 0.536607
C 1.686474 2.013433 2.304314
C 1.250497 -0.333028 -0.564027
C 1.290308 4.191620 1.262094
C 2.079660 3.506674 2.416354
C 2.647252 1.537401 -0.036446
C -0.965886 0.730831 0.277794
C 0.338224 3.431229 -0.901274
C 2.565273 0.396486 -0.773558
C -0.394292 2.291303 -1.659963
C -1.410214 1.564771 -0.793259
C -1.911128 0.076912 1.118870
C -2.799886 1.747229 -1.035521
C -3.268313 0.280282 0.865134
C -3.704571 1.099290 -0.191617
C 0.932772 -2.808233 -0.662988
C 1.090690 -4.099122 0.162451
C 3.475675 -1.326480 -2.294712
C -5.564978 0.401492 0.971549
C 0.495645 -5.281073 -0.638704
C 0.326400 -3.922398 1.507837
C 2.600045 -4.345806 0.450636
H 0.605121 -0.113091 1.451574
H 2.471259 1.326758 2.665758
H 0.757581 1.818255 2.872322
H 0.663348 -0.484272 -1.488459
H 0.493528 4.865870 1.634277
H 1.976558 4.810516 0.635400
H 1.830693 3.930663 3.403686
H 3.166950 3.631829 2.265850
H 3.502303 2.218492 -0.056563
H 1.234178 3.734231 -1.501458
H -0.328345 4.315405 -0.849216
H 0.360599 1.585730 -2.050763
H -0.888157 2.730840 -2.545487
H -1.582627 -0.564769 1.942080
H -3.148910 2.380650 -1.856001
H 2.473599 -1.535624 -2.710206
H 3.742704 -2.104861 -1.556759
H 4.218131 -1.308513 -3.106590
H -5.925711 1.151493 1.702021
H -6.328914 -0.345269 0.706793
H -0.572290 -5.114464 -0.861301
H 0.593181 -6.212029 -0.050985
H 1.018250 -5.416512 -1.601638
H -0.747452 -3.725043 1.334895
H 0.412677 -4.850857 2.101411
H 0.748136 -3.088778 2.094754
H 3.041659 -3.501971 1.006894
H 2.710442 -5.264369 1.055658
H 3.169192 -4.487875 -0.486996


