%chk=000182596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182596

0 1
O -4.532219 -1.275648 -0.654167
O -7.169029 -0.260529 -0.161991
N 0.469993 -0.425385 -0.458792
N -2.287817 0.211626 0.181807
C 4.271965 -1.010367 -0.350723
C 2.934221 -0.259813 -0.288836
C 4.572216 -1.829977 0.940729
C 1.736558 -1.222541 -0.343095
C 5.442451 -0.059794 -0.476250
C 5.950850 -1.373678 1.477610
C 6.389268 -0.272392 0.555221
C 0.095834 0.196647 0.853067
C -0.659326 -1.292160 -0.933283
C -1.161628 1.070738 0.668886
C -1.923142 -0.430245 -1.121979
C 5.662462 0.909199 -1.444924
C 7.550001 0.485955 0.621731
C -3.598881 0.760753 0.272832
C 6.838081 1.677899 -1.377660
C 7.767611 1.469836 -0.358728
C -4.734178 -0.019760 -0.076224
C -3.849955 2.038047 0.822694
C -6.034084 0.473134 0.133352
C -5.150468 2.500004 1.043468
C -6.261915 1.732806 0.704072
C -5.670896 -2.161464 -0.491374
C -6.932166 -1.448106 -0.968253
H 4.269086 -1.696427 -1.231473
H 2.862922 0.456161 -1.134376
H 2.891271 0.366907 0.622769
H 4.574367 -2.908545 0.720169
H 3.792414 -1.668268 1.702671
H 1.744585 -1.903628 0.534140
H 1.826640 -1.867797 -1.244942
H 6.678060 -2.205491 1.478777
H 5.880161 -1.019983 2.521562
H 0.937973 0.840561 1.188044
H -0.084955 -0.555248 1.652466
H -0.881783 -2.133168 -0.240570
H -0.375017 -1.732350 -1.913054
H -1.437388 1.513735 1.651091
H -0.940147 1.905238 -0.033574
H -1.748405 0.332933 -1.912710
H -2.756779 -1.083974 -1.470293
H 4.944192 1.076971 -2.243503
H 8.278815 0.327934 1.411351
H 7.019985 2.441678 -2.130943
H 8.672918 2.072421 -0.318411
H -3.021614 2.689511 1.088723
H -5.296158 3.487151 1.483571
H -7.277496 2.080090 0.865236
H -5.731817 -2.455454 0.571998
H -5.388895 -3.024426 -1.118110
H -6.852353 -1.118256 -2.019822
H -7.858088 -2.027762 -0.810079


%chk=000182596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182596

0 1
O -4.503519 -1.445860 -0.267064
O -7.240579 -0.470572 -0.022345
N 0.426130 -0.297971 -0.552647
N -2.350267 0.372848 -0.017456
C 4.273224 -0.862755 -0.350571
C 2.934132 -0.090685 -0.322558
C 4.507287 -1.802366 0.879738
C 1.711057 -1.027111 -0.402771
C 5.522863 0.021243 -0.327458
C 6.054639 -1.890355 1.050393
C 6.538007 -0.565796 0.473100
C 0.030333 0.436180 0.673321
C -0.678265 -1.203758 -0.962399
C -1.255617 1.250510 0.443909
C -1.965930 -0.409098 -1.221765
C 5.754997 1.245306 -0.986927
C 7.787688 0.067076 0.624358
C -3.684501 0.833627 0.114859
C 7.009881 1.885886 -0.833560
C 8.019975 1.301417 -0.032516
C -4.787858 -0.070755 -0.021372
C -3.986627 2.186222 0.447510
C -6.121212 0.389660 0.125511
C -5.317932 2.618539 0.635959
C -6.396764 1.731098 0.465832
C -5.643636 -2.334016 0.033367
C -6.911362 -1.778142 -0.618977
H 4.295493 -1.476846 -1.279632
H 2.877544 0.610146 -1.177992
H 2.904705 0.521804 0.600162
H 4.035800 -2.793234 0.759717
H 4.066076 -1.324107 1.776723
H 1.693296 -1.705446 0.490002
H 1.825484 -1.675688 -1.294672
H 6.465782 -2.737092 0.463043
H 6.362444 -2.046653 2.100212
H 0.837433 1.133495 0.959243
H -0.137105 -0.268423 1.529270
H -0.885191 -1.979035 -0.181180
H -0.381268 -1.722844 -1.893108
H -1.548685 1.720457 1.399365
H -1.041801 2.059438 -0.294289
H -1.795381 0.280798 -2.080456
H -2.780827 -1.101424 -1.477172
H 4.976732 1.705536 -1.607126
H 8.571731 -0.383215 1.245004
H 7.199722 2.841636 -1.335508
H 8.984825 1.808839 0.082048
H -3.174079 2.911277 0.540437
H -5.513189 3.664828 0.894108
H -7.438035 2.044521 0.580316
H -5.774790 -2.404684 1.130818
H -5.367144 -3.318788 -0.376504
H -6.760243 -1.660233 -1.710122
H -7.787172 -2.420135 -0.430281


