%chk=000219958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219958

0 1
O 4.414571 1.228111 1.246804
O -4.406894 1.268655 -1.271337
O 2.445326 1.635560 -2.233645
O -2.433420 1.704962 2.203239
O 4.028428 2.307012 -0.922572
O -4.003318 2.380368 0.878391
N 3.087648 1.586765 -1.192656
N -3.074636 1.649644 1.161888
C -0.019791 -2.133165 0.016014
C 1.165127 -1.242547 0.400796
C -1.192223 -1.232666 -0.383689
C -0.506188 -3.020056 1.177793
C 0.454154 -3.045943 -1.130739
C 1.579907 -0.257885 -0.497390
C -1.593021 -0.227409 0.497820
C 1.870038 -1.400297 1.610848
C -1.899495 -1.400858 -1.591020
C 2.681121 0.571634 -0.211999
C -2.682591 0.612599 0.198446
C 2.955304 -0.590258 1.924312
C -2.973377 -0.581131 -1.918061
C 3.364471 0.402697 1.012353
C -3.368410 0.432700 -1.022911
H 0.247675 -3.757181 1.474311
H -0.775578 -2.433985 2.063660
H -1.403333 -3.582218 0.887774
H 1.343449 -3.615596 -0.831265
H -0.309873 -3.777391 -1.415033
H 0.731629 -2.478501 -2.026186
H 1.051393 -0.106134 -1.449488
H -1.062394 -0.067100 1.447340
H 1.568689 -2.170464 2.326099
H -1.609008 -2.187058 -2.293203
H 3.483870 -0.718772 2.865737
H -3.503949 -0.717988 -2.857175
H 4.840144 1.062687 2.134309
H -4.835143 1.094007 -2.155764


%chk=000219958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219958

0 1
O 4.595452 1.188693 1.307095
O -4.590394 1.228775 -1.328968
O 2.679628 1.379947 -2.426536
O -2.654830 1.470922 2.393402
O 3.941163 2.522554 -0.912287
O -3.915745 2.593512 0.863855
N 3.165342 1.548780 -1.234847
N -3.147212 1.619132 1.201689
C -0.019557 -2.112770 0.015640
C 1.184175 -1.223819 0.416570
C -1.211084 -1.214013 -0.399783
C -0.496889 -3.018226 1.189671
C 0.444800 -3.043504 -1.143651
C 1.656226 -0.251384 -0.491227
C -1.666117 -0.216750 0.489512
C 1.880521 -1.360529 1.644584
C -1.913475 -1.365580 -1.622663
C 2.773199 0.561207 -0.201637
C -2.772600 0.605604 0.187234
C 2.999710 -0.561327 1.942827
C -3.022012 -0.556487 -1.933570
C 3.473964 0.415381 1.031896
C -3.479419 0.444979 -1.041030
H 0.291108 -3.733055 1.489724
H -0.795193 -2.428203 2.074467
H -1.376067 -3.604022 0.869136
H 1.317207 -3.634780 -0.814833
H -0.352447 -3.753263 -1.430990
H 0.748974 -2.471665 -2.038315
H 1.162471 -0.089960 -1.454243
H -1.166583 -0.042803 1.447328
H 1.553920 -2.095238 2.385599
H -1.599947 -2.119764 -2.349641
H 3.520065 -0.692828 2.900470
H -3.547281 -0.699504 -2.886877
H 4.980615 0.937320 2.185977
H -4.981387 0.965470 -2.201779


