%chk=000133389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000133389

0 1
I 6.353569 0.623065 0.028510
I 1.918195 3.021372 2.238576
O -2.321932 -2.296471 -1.361060
O -1.022633 -0.364293 -1.048096
O -3.044901 0.577302 -0.407250
O -0.689281 -0.972966 1.418487
O -2.019946 -4.083132 1.412519
O -0.255756 1.899141 -1.668555
O 1.284105 -2.032120 -1.187234
O -3.686666 2.939644 -2.029389
O -1.328537 3.560291 0.633768
O -5.558538 -2.654993 0.045842
O -3.261241 -0.061051 2.388703
O 1.575976 -0.298483 -2.620839
N 4.336679 0.882004 3.127615
N 4.714802 1.069566 4.173785
C -1.079977 -1.802813 -0.896989
C -0.938735 -2.124185 0.621657
C -2.301931 -2.734601 1.027783
C -3.167711 -2.761680 -0.251621
C -2.171105 0.357206 -1.506144
C -1.611331 1.696078 -2.063816
C -2.377435 2.910106 -1.474266
C 0.021315 -2.383960 -1.804626
C -2.451566 2.894243 0.074305
C -2.501167 1.449135 0.623333
C -4.401195 -1.852880 -0.191517
C -3.423279 1.243705 1.828019
C 1.849654 -0.825467 -1.569246
C 2.710465 -0.326668 -0.464838
C 3.843925 -0.925602 -0.045551
C 2.199493 0.883139 0.175038
C 4.640195 -0.350901 1.065023
C 2.772395 1.316622 1.313154
C 3.908213 0.633622 1.898231
H -0.097053 -2.827095 0.837090
H -2.775133 -2.172863 1.866790
H -3.428626 -3.804550 -0.542923
H -2.781256 -0.248019 -2.208540
H -1.678773 1.699436 -3.176455
H -1.914394 3.864649 -1.829513
H -3.312662 3.515802 0.418844
H -0.040228 -2.000451 -2.840414
H 0.020431 -3.490481 -1.795783
H -1.458694 1.102993 0.858723
H -4.513108 -1.260462 -1.116445
H -4.379535 -1.153510 0.678710
H -0.616565 -0.151354 0.832001
H -4.495368 1.265952 1.547894
H -3.218530 1.999170 2.612529
H -2.644884 -4.376935 2.110294
H 0.334774 1.255446 -2.159217
H -4.227022 2.186859 -1.682371
H -0.477517 3.204503 0.256812
H -5.827368 -3.127067 -0.768919
H -2.294210 -0.286799 2.492788
H 4.232849 -1.838013 -0.507210
H 1.353428 1.394348 -0.300091
H 5.153824 -1.135735 1.663293


%chk=000133389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133389

0 1
I 6.343389 -2.278402 0.821314
I 5.645951 3.498789 0.534494
O -2.163763 -2.267609 -1.764276
O -1.136625 -0.198081 -0.977610
O -3.294169 0.565954 -0.219876
O -0.951370 -1.155280 1.483635
O -2.929367 -3.726507 1.495863
O -0.642124 2.348150 -1.286066
O 1.365199 -1.593799 -0.789129
O -4.307582 2.625990 -1.858607
O -1.856879 3.833726 0.722375
O -5.499071 -3.424849 -0.446834
O -3.445147 -0.060017 2.616994
O 1.503807 0.487789 -1.863458
N 5.869431 1.078654 2.768806
N 6.643020 1.328697 3.618549
C -1.110371 -1.689421 -0.966612
C -1.309627 -2.185628 0.507959
C -2.794473 -2.603959 0.574407
C -3.133203 -3.011034 -0.879941
C -2.363164 0.500309 -1.343820
C -1.932878 1.923686 -1.830990
C -2.979155 2.949356 -1.323137
C 0.230088 -2.041104 -1.632852
C -2.958652 3.003797 0.232463
C -2.832888 1.557520 0.808446
C -4.567700 -2.666631 -1.301728
C -3.620290 1.293350 2.090005
C 1.902096 -0.323180 -0.985783
C 3.011417 -0.039807 -0.034824
C 3.387964 -0.946232 0.956090
C 3.692072 1.228370 -0.186645
C 4.487561 -0.653653 1.840111
C 4.665573 1.610755 0.717482
C 5.012420 0.708337 1.800446
H -0.679131 -3.071921 0.704832
H -3.405858 -1.738977 0.894208
H -2.932778 -4.093164 -1.012088
H -2.898600 -0.067213 -2.120207
H -1.907217 1.925604 -2.937115
H -2.739342 3.949316 -1.716940
H -3.883049 3.497094 0.580197
H 0.286272 -1.565660 -2.626562
H 0.349325 -3.132685 -1.703844
H -1.753257 1.383823 0.989688
H -4.732143 -2.877862 -2.376761
H -4.784269 -1.606196 -1.096575
H -0.750351 -0.336889 0.947465
H -4.703920 1.402150 1.905245
H -3.311380 2.057963 2.834773
H -3.877882 -3.773386 1.777410
H 0.078814 1.715941 -1.571951
H -4.632402 1.820739 -1.372883
H -1.050151 3.544143 0.205435
H -5.522384 -4.369465 -0.744947
H -2.506210 -0.381021 2.483313
H 2.873637 -1.904610 1.053823
H 3.401203 1.875439 -1.017841
H 4.578083 -1.211398 2.775272


