%chk=000183999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183999

0 1
O 0.350222 4.727389 -0.512364
O -4.896168 -0.776470 -0.086144
O 4.647778 -2.375196 -1.761291
O -3.221857 -2.294930 0.071997
N -1.919505 -0.646897 2.083516
C -0.740577 -0.584217 1.147071
C 0.483143 -1.186829 1.883319
C -0.473270 0.854860 0.754232
C 1.604399 -1.461554 0.921733
C -3.192013 -0.252045 1.445559
C -0.530362 1.884742 1.700508
C -0.135620 1.154484 -0.579284
C 2.565452 -0.479227 0.653573
C 1.690433 -2.710742 0.276669
C -0.267323 3.210042 1.337898
C 0.133583 2.461797 -0.965640
C 0.062310 3.482237 0.005686
C 3.615058 -0.724222 -0.238500
C 2.722549 -2.979613 -0.613683
C -3.711038 -1.245319 0.419281
C 3.681373 -1.974954 -0.861233
C -5.568932 -1.559315 -1.124665
C 0.302988 5.860659 0.386561
C 5.687554 -1.427468 -2.099713
C -4.878405 -1.347274 -2.455074
H -0.934683 -1.197882 0.222682
H 0.812196 -0.497738 2.688348
H 0.193629 -2.120309 2.407867
H -2.005890 -1.598441 2.465877
H -3.958395 -0.112913 2.246627
H -3.083911 0.752787 0.964224
H -0.791644 1.650219 2.735373
H -0.075761 0.353108 -1.317733
H 2.493806 0.495812 1.137851
H 0.938600 -3.475362 0.474323
H -0.320763 3.994608 2.083626
H 0.397209 2.713505 -1.989714
H 4.348993 0.049462 -0.433281
H 2.807164 -3.937763 -1.120380
H -5.578023 -2.618714 -0.812975
H -6.584577 -1.125139 -1.084126
H -0.706443 5.985523 0.788523
H 1.047262 5.748101 1.179889
H 0.564633 6.689929 -0.283492
H 6.292193 -2.002507 -2.812937
H 6.270412 -1.168920 -1.211190
H 5.255682 -0.542799 -2.576195
H -5.448625 -1.791848 -3.279164
H -3.877759 -1.805518 -2.461577
H -4.746879 -0.280039 -2.676259


%chk=000183999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183999

0 1
O 0.485272 4.798699 -0.599163
O -5.020868 -0.767177 -0.031312
O 4.802606 -2.264890 -1.834161
O -3.389501 -2.411247 0.281770
N -1.933313 -0.618799 2.047155
C -0.796164 -0.576383 1.088978
C 0.434244 -1.235722 1.796951
C -0.499895 0.861935 0.661037
C 1.609871 -1.479595 0.866679
C -3.243083 -0.250586 1.513096
C -0.554958 1.922129 1.596228
C -0.116306 1.160165 -0.671556
C 2.711578 -0.594878 0.814865
C 1.620080 -2.605328 -0.002431
C -0.237328 3.248458 1.226354
C 0.207041 2.473852 -1.060184
C 0.147749 3.523374 -0.110259
C 3.797565 -0.810937 -0.065558
C 2.688374 -2.839126 -0.886816
C -3.849663 -1.272245 0.531091
C 3.783842 -1.939696 -0.920382
C -5.743739 -1.650586 -1.002183
C 0.432451 5.916769 0.343512
C 5.958338 -1.369516 -1.897571
C -5.200753 -1.449002 -2.419163
H -1.008943 -1.178903 0.175105
H 0.725298 -0.591078 2.646532
H 0.093236 -2.204095 2.219296
H -1.962730 -1.518397 2.544160
H -3.968736 -0.118844 2.339097
H -3.178129 0.726800 1.002929
H -0.871051 1.695460 2.621126
H -0.061622 0.351622 -1.410427
H 2.722655 0.286298 1.467374
H 0.780171 -3.311159 0.019962
H -0.295308 4.046577 1.973189
H 0.504985 2.710477 -2.086244
H 4.631089 -0.101924 -0.074358
H 2.702301 -3.707517 -1.552792
H -5.630926 -2.698528 -0.672555
H -6.794369 -1.331878 -0.910294
H -0.590888 6.061977 0.742311
H 1.138425 5.770633 1.184719
H 0.730511 6.800135 -0.240483
H 6.618687 -1.805150 -2.662000
H 6.489753 -1.326615 -0.926415
H 5.661393 -0.346248 -2.200800
H -5.800546 -2.039754 -3.136457
H -4.152629 -1.785290 -2.489077
H -5.255866 -0.387170 -2.714678


