%chk=000260300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260300

0 1
O -2.235861 -3.731306 -0.936968
O -3.238394 -1.021116 -0.729890
O -6.942949 2.747981 0.805275
N 0.778661 -1.877588 0.038793
N 3.345389 -0.535021 0.082341
C 1.455302 -1.452771 -1.231416
C 1.815838 -2.218420 1.068353
C 2.321734 -0.207481 -0.957317
C 2.683338 -0.974673 1.348902
C -0.134139 -3.038469 -0.196601
C -1.457800 -2.526550 -0.799709
C 4.483585 0.312511 0.187413
C -2.176487 -1.535001 0.127032
C 4.904736 1.086301 -0.916324
C 5.277282 0.301766 1.359579
C 6.094634 1.820883 -0.853293
C 6.457739 1.039080 1.404678
C 6.875811 1.802569 0.312287
C 6.524491 2.624091 -2.040028
C -4.092820 -0.072104 -0.199063
C -4.026621 0.453320 1.090276
C -5.083142 0.335788 -1.125861
C -4.971750 1.415035 1.482602
C -6.013432 1.282910 -0.739268
C -5.947791 1.816589 0.571562
C -6.984309 3.369405 2.110501
H 2.083097 -2.256582 -1.675746
H 0.673039 -1.193732 -1.977264
H 1.297309 -2.517329 2.004591
H 2.466115 -3.067275 0.761618
H 2.833373 0.095423 -1.899737
H 1.677447 0.643275 -0.640438
H 2.056930 -0.163231 1.782857
H 3.460433 -1.235757 2.103654
H -0.354851 -3.553139 0.765389
H 0.283564 -3.823413 -0.865508
H -1.325843 -2.085161 -1.813830
H -2.626142 -2.027192 1.004234
H -1.514407 -0.704118 0.432914
H 4.316122 1.103639 -1.830342
H 4.981284 -0.291840 2.220475
H -3.153302 -3.503432 -1.206916
H 7.064836 1.020568 2.310397
H 7.796788 2.372902 0.366325
H 5.738133 3.322173 -2.358739
H 6.748440 1.971598 -2.896242
H 7.425127 3.220173 -1.844964
H -3.263878 0.140140 1.796542
H -5.092435 -0.101515 -2.122711
H -4.924577 1.827232 2.485601
H -6.794049 1.628980 -1.415230
H -7.847003 4.041286 2.010970
H -7.161761 2.618285 2.885295
H -6.066934 3.936214 2.292545


%chk=000260300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260300

0 1
O -2.305856 -3.713559 -0.944026
O -3.362231 -1.088820 -0.809620
O -7.120845 2.761956 0.869660
N 0.828715 -1.926990 0.049741
N 3.404842 -0.588226 0.112498
C 1.591515 -1.670306 -1.197049
C 1.783312 -2.167392 1.160051
C 2.503661 -0.440348 -1.045984
C 2.683697 -0.937308 1.358913
C -0.175963 -3.008898 -0.095957
C -1.454160 -2.524284 -0.803717
C 4.582061 0.204607 0.182717
C -2.172733 -1.433658 -0.007710
C 4.884288 1.182448 -0.811838
C 5.525405 0.021454 1.240130
C 6.083056 1.936095 -0.782457
C 6.709317 0.780907 1.278962
C 7.000622 1.735479 0.276914
C 6.377848 2.941211 -1.884978
C -4.238726 -0.110416 -0.296694
C -4.052958 0.564509 0.929739
C -5.368570 0.184000 -1.102455
C -4.996240 1.533072 1.354610
C -6.302505 1.142920 -0.682449
C -6.121928 1.823381 0.550518
C -6.980253 3.484643 2.133644
H 2.219892 -2.556368 -1.467875
H 0.888674 -1.486602 -2.029073
H 1.212588 -2.349009 2.089402
H 2.425124 -3.062981 0.963559
H 3.108928 -0.352053 -1.964707
H 1.871675 0.474691 -0.957354
H 2.049311 -0.081662 1.687783
H 3.404403 -1.149731 2.163208
H -0.457882 -3.371088 0.910664
H 0.214511 -3.888995 -0.659740
H -1.216050 -2.114676 -1.808903
H -2.489938 -1.823312 0.981718
H -1.513007 -0.555082 0.123503
H 4.171154 1.386729 -1.616896
H 5.353051 -0.730420 2.016401
H -3.190661 -3.402898 -1.269110
H 7.419153 0.618322 2.098702
H 7.927418 2.318849 0.319249
H 5.454013 3.418009 -2.259209
H 6.867116 2.450737 -2.749270
H 7.055333 3.738674 -1.532505
H -3.186894 0.356375 1.564777
H -5.494648 -0.346164 -2.051415
H -4.834915 2.044876 2.307912
H -7.179485 1.382597 -1.291090
H -7.853695 4.151399 2.183781
H -6.990218 2.792024 2.998627
H -6.050423 4.087185 2.154293


