%chk=000211123.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211123

0 1
O -4.119269 -1.897113 -1.660923
O -3.152907 2.582247 -0.345133
O 4.535320 1.698414 0.888695
N 0.326120 -0.525843 -0.688081
N 3.127441 -0.451320 0.047195
C -3.310581 0.423215 -1.514682
C -1.808954 0.162033 -1.685754
C -1.146520 -0.423242 -0.425146
C 1.018158 0.773660 -0.398921
C 0.945488 -1.614982 0.136351
C 2.510425 0.652752 -0.760915
C 2.436727 -1.749653 -0.237460
C -4.052257 -0.860655 -1.057374
C -3.557216 1.451126 -0.378027
C -3.941193 0.936124 -2.805406
C -4.674873 -0.561597 0.274007
C -4.390885 0.768538 0.664148
C 4.562921 -0.487945 -0.019473
C -5.435180 -1.393472 1.078827
C -4.864915 1.276729 1.862087
C 5.310480 0.618050 0.508860
C 5.291523 -1.596624 -0.464460
C -5.917937 -0.879090 2.298680
C -5.637953 0.431919 2.683254
C 6.699458 0.581600 0.598982
C 6.691958 -1.637004 -0.366219
C 7.390892 -0.559821 0.162914
C 5.208594 2.837061 1.475848
H -1.305891 1.108240 -1.977210
H -1.643820 -0.532264 -2.537751
H -1.557567 -1.438730 -0.231285
H -1.387160 0.190061 0.469546
H 0.917645 1.089202 0.663327
H 0.552504 1.566051 -1.023858
H 0.427707 -2.569984 -0.097116
H 0.849820 -1.438208 1.230118
H 2.626236 0.481245 -1.852960
H 3.024235 1.611453 -0.513513
H 2.895475 -2.544023 0.390626
H 2.526300 -2.057617 -1.302977
H -3.826191 0.205096 -3.618645
H -5.014057 1.133795 -2.693240
H -3.467779 1.872601 -3.132613
H -5.654244 -2.418048 0.775240
H -4.645664 2.302846 2.160186
H 4.781384 -2.453443 -0.900854
H -6.518585 -1.518896 2.946486
H -6.020321 0.813710 3.630767
H 7.259516 1.417105 1.006524
H 7.223368 -2.520514 -0.712985
H 8.475609 -0.589460 0.241703
H 5.722033 2.544312 2.396256
H 4.364213 3.503052 1.695875
H 5.891571 3.292308 0.753581


%chk=000211123-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211123

0 1
O -4.087530 -1.872513 -1.731627
O -3.200067 2.604664 -0.089115
O 4.622231 1.789593 0.713877
N 0.357079 -0.492165 -0.684112
N 3.206352 -0.467886 -0.140986
C -3.347285 0.495081 -1.420917
C -1.821674 0.282306 -1.645365
C -1.097538 -0.362793 -0.444431
C 1.099437 0.787482 -0.548396
C 0.990929 -1.528646 0.165331
C 2.569868 0.603610 -0.951065
C 2.463896 -1.740933 -0.229711
C -4.077266 -0.818403 -1.043286
C -3.628087 1.426727 -0.215633
C -3.983514 1.095777 -2.708033
C -4.774182 -0.610362 0.263136
C -4.510910 0.698201 0.746607
C 4.619628 -0.514135 -0.029247
C -5.589326 -1.504645 0.988198
C -5.056327 1.147186 1.967563
C 5.372656 0.631449 0.413476
C 5.352815 -1.707926 -0.280266
C -6.136210 -1.059035 2.213279
C -5.872426 0.253293 2.697849
C 6.774272 0.564853 0.561846
C 6.753700 -1.778570 -0.108522
C 7.471833 -0.640038 0.304963
C 5.341171 2.943411 1.253931
H -1.387526 1.274356 -1.870726
H -1.680303 -0.361000 -2.532894
H -1.502305 -1.381175 -0.288522
H -1.311761 0.221253 0.488729
H 1.056316 1.167728 0.503152
H 0.642684 1.548515 -1.205277
H 0.444896 -2.481209 0.031187
H 0.950731 -1.253274 1.250094
H 2.616278 0.337937 -2.032484
H 3.115276 1.544156 -0.789798
H 2.913559 -2.471473 0.466091
H 2.500110 -2.168411 -1.260008
H -3.832254 0.400536 -3.551935
H -5.068414 1.268893 -2.589648
H -3.501301 2.061464 -2.939682
H -5.785165 -2.510428 0.603181
H -4.845926 2.159046 2.328089
H 4.819957 -2.594370 -0.636651
H -6.772788 -1.728726 2.801936
H -6.310794 0.569525 3.650773
H 7.332362 1.443416 0.899850
H 7.276344 -2.719101 -0.314319
H 8.558787 -0.677580 0.432234
H 5.856605 2.688543 2.200400
H 4.565117 3.699472 1.446167
H 6.077196 3.341320 0.527819


