%chk=000196292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196292

0 1
O -0.610001 -2.167614 2.128302
O 1.520589 -0.235461 -1.194814
O -1.397243 2.250549 -0.119440
O 1.795911 -5.810799 -0.373908
O -3.121121 -0.725469 -0.884043
O 3.400306 -4.432775 0.369033
O -4.426653 2.793845 -0.688255
O -6.397754 2.374258 -1.662124
N 2.166877 -1.738442 0.384668
N -0.719548 -0.659031 0.417050
N 4.815306 -0.849599 -0.357960
N 1.587567 2.543505 -0.697445
N -4.238463 0.538388 0.650569
N 2.219257 4.402974 0.435260
C 0.914407 -2.515931 0.245620
C 3.714855 0.125614 -0.176805
C 1.044942 -3.931231 0.822609
C 3.798940 1.369621 -1.092307
C -1.823551 0.101456 1.019818
C -0.208434 -1.786625 1.041674
C 2.387877 -0.623370 -0.414522
C 2.984419 2.488334 -0.561950
C -1.433630 1.593939 1.146448
C -3.078391 -0.079964 0.141399
C 2.221409 -4.681806 0.279772
C 3.351843 3.646615 0.136906
C 1.161159 3.724548 -0.071040
C -5.417123 0.655492 -0.215741
C -5.516280 1.980583 -0.943843
H 0.620418 -2.570817 -0.843528
H 3.723986 0.469629 0.898332
H 2.941350 -2.175300 0.905560
H 0.095975 -4.493897 0.637192
H 1.116097 -3.889731 1.941282
H 3.469617 1.108751 -2.124421
H 4.855716 1.697518 -1.188961
H -2.034381 -0.320052 2.051564
H -0.387870 -0.340971 -0.508248
H -0.388630 1.700506 1.512903
H -2.113333 2.131524 1.830630
H 4.946877 -1.093451 -1.336156
H 5.695374 -0.479428 -0.009640
H 1.010974 1.831931 -1.134610
H 4.332510 3.972710 0.429448
H -4.200027 1.192147 1.427571
H 0.121091 4.018259 -0.018192
H -6.349859 0.502662 0.383859
H -5.406082 -0.169163 -0.988141
H -2.310498 2.361983 -0.487763
H 2.547375 -6.357563 -0.735200
H -4.492449 3.668750 -1.165714


%chk=000196292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196292

0 1
O -0.934335 -2.721530 1.915718
O 1.308396 0.240888 -0.777805
O -1.832314 2.171923 0.547147
O 2.022660 -5.383687 -1.257832
O -3.257700 -0.804070 -0.881408
O 3.496879 -3.995014 -0.129795
O -4.528243 2.684196 -0.535510
O -6.700408 2.427521 -1.322481
N 1.975750 -1.582684 0.492981
N -0.949286 -0.759452 0.646118
N 4.425064 -0.771439 0.880016
N 2.245543 2.787860 -1.192267
N -4.517305 0.289264 0.732601
N 3.297833 4.791114 -1.214315
C 0.801388 -2.408363 0.162101
C 3.545345 0.287854 0.340326
C 1.081326 -3.909592 0.402543
C 4.150425 1.114441 -0.852469
C -2.148531 -0.209173 1.261759
C -0.448581 -1.987041 1.000746
C 2.180748 -0.345965 -0.034920
C 3.606146 2.509304 -1.012262
C -1.924625 1.272332 1.690844
C -3.340877 -0.298264 0.270358
C 2.321696 -4.394178 -0.318164
C 4.236802 3.762042 -1.031141
C 2.104374 4.161179 -1.303027
C -5.633941 0.524718 -0.170580
C -5.716129 1.945182 -0.734364
H 0.558169 -2.223854 -0.903420
H 3.345901 0.999006 1.166368
H 2.781399 -1.948574 1.033711
H 0.206300 -4.491316 0.079612
H 1.200730 -4.075937 1.488800
H 4.034219 0.527484 -1.786648
H 5.235029 1.203627 -0.660529
H -2.365090 -0.827286 2.156280
H -0.472591 -0.226020 -0.101269
H -0.955444 1.345790 2.209761
H -2.718683 1.595126 2.400498
H 4.839234 -1.388325 0.171250
H 5.116091 -0.442594 1.558998
H 1.537131 2.035196 -1.183044
H 5.298084 3.982983 -0.930237
H -4.546691 0.693814 1.669350
H 1.143818 4.652117 -1.437155
H -6.606114 0.297652 0.299707
H -5.509939 -0.161379 -1.031225
H -2.732391 2.275718 0.126650
H 2.861167 -5.686282 -1.703406
H -4.626726 3.581287 -0.956271


