%chk=000198994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198994

0 1
O -4.732381 1.986972 0.118856
O -5.608091 -0.164747 1.085412
N 0.429256 -0.937437 -0.929882
N 3.060348 -1.157904 0.296074
N 4.105277 0.699012 1.392080
N 4.995440 -0.173817 -0.718914
C 0.746650 -0.192109 0.333437
C 1.658374 -1.076641 -1.781365
C 1.832440 -0.952192 1.119723
C 2.740242 -1.840838 -0.991208
C -0.656813 -0.245306 -1.703231
C -1.955531 -0.265604 -0.932031
C 4.048643 -0.166076 0.302294
C -2.688704 0.934377 -0.786427
C -2.441956 -1.453317 -0.395299
C -3.899096 0.914971 -0.108324
C -3.666730 -1.482187 0.297675
C -4.397863 -0.311476 0.443137
C 5.173146 1.525212 1.468101
C 6.043265 0.672424 -0.594129
C 6.184009 1.547220 0.494264
C -4.313726 3.271587 -0.402392
C -6.187081 -1.355142 1.672746
H -0.183171 -0.144186 0.944701
H 1.069260 0.855852 0.155054
H 2.064740 -0.103204 -2.131473
H 1.388117 -1.662139 -2.686630
H 2.078356 -0.411557 2.061913
H 1.464937 -1.964088 1.408706
H 2.380008 -2.863647 -0.732475
H 3.658277 -1.962422 -1.609924
H -0.806126 -0.808397 -2.655712
H -0.384414 0.793440 -1.993708
H -2.299308 1.856516 -1.205426
H -1.863918 -2.372516 -0.500415
H -4.021597 -2.422968 0.708146
H 5.202424 2.190812 2.340652
H 6.782575 0.641730 -1.405022
H 7.032992 2.213798 0.576942
H -4.241696 3.236936 -1.492797
H -3.374545 3.584894 0.061461
H -5.143522 3.916701 -0.083815
H -7.116279 -0.956921 2.101498
H -5.534128 -1.752459 2.454626
H -6.399900 -2.098555 0.899702


%chk=000198994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198994

0 1
O -5.295294 1.780918 -0.115772
O -5.785885 -0.470141 1.189859
N 0.372665 -0.462608 -1.015414
N 3.030540 -0.614150 0.041325
N 4.528616 0.490524 1.497220
N 5.301634 -0.521494 -0.604133
C 0.754212 0.342727 0.171146
C 1.530961 -0.653100 -1.922327
C 1.895943 -0.342288 0.945602
C 2.681346 -1.362255 -1.180615
C -0.821296 0.074614 -1.711012
C -2.103094 -0.082810 -0.898147
C 4.316652 -0.205065 0.317789
C -3.071634 0.954036 -0.884972
C -2.368822 -1.272381 -0.190104
C -4.289787 0.807464 -0.185718
C -3.583515 -1.433404 0.516746
C -4.554186 -0.407543 0.524547
C 5.806255 0.874366 1.749138
C 6.561609 -0.114839 -0.303860
C 6.885205 0.595918 0.876372
C -5.051331 3.044745 -0.810969
C -6.082739 -1.700977 1.923623
H -0.127257 0.439110 0.829372
H 1.078291 1.373171 -0.125826
H 1.908342 0.320704 -2.327579
H 1.212909 -1.277259 -2.778608
H 2.256855 0.290087 1.770257
H 1.524732 -1.301938 1.359528
H 2.351057 -2.382679 -0.898153
H 3.580955 -1.434271 -1.809978
H -0.917137 -0.485790 -2.663451
H -0.692240 1.152399 -1.990478
H -2.861794 1.883155 -1.426169
H -1.611556 -2.062983 -0.185267
H -3.767260 -2.365255 1.060052
H 5.960646 1.424128 2.685370
H 7.331521 -0.371521 -1.041423
H 7.906247 0.911935 1.099800
H -4.931638 2.891441 -1.901844
H -4.156556 3.561054 -0.410128
H -5.947391 3.652872 -0.618685
H -7.079128 -1.537953 2.359930
H -5.345747 -1.879312 2.731539
H -6.109709 -2.578749 1.248019


