%chk=000260302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260302

0 1
O -3.289354 3.071736 -0.462694
O -3.933395 0.737903 0.655442
O -5.912826 -0.043585 -1.273248
N -0.128051 1.138499 -0.261835
N 2.680488 0.440153 -0.134273
C 0.929715 2.183495 -0.052988
C 0.433315 0.023964 -1.096787
C 2.126181 1.557696 0.693011
C 1.630677 -0.608629 -0.360766
C -1.343343 1.724366 -0.908805
C -2.211259 2.389117 0.182398
C 3.939862 -0.105857 0.316670
C -2.765912 1.394317 1.216785
C 4.515327 0.182998 1.565460
C 4.654234 -0.906209 -0.603496
C 5.784344 -0.309635 1.883662
C 5.912020 -1.398424 -0.273064
C 6.492380 -1.104791 0.974653
C -3.751265 -0.438206 -0.061508
C 7.847968 -1.637119 1.309760
C -4.789902 -0.778558 -0.965537
C -2.664656 -1.298405 0.111518
C -4.718206 -1.984738 -1.680388
C -2.602820 -2.494723 -0.609659
C -3.624516 -2.834349 -1.500198
C -6.190793 1.142116 -0.490084
H 1.280553 2.637383 -1.006456
H 0.502017 3.002298 0.563048
H -0.358506 -0.744296 -1.237995
H 0.751594 0.362183 -2.107410
H 2.918389 2.327646 0.821571
H 1.805241 1.225835 1.704790
H 1.289980 -1.067507 0.593589
H 2.058332 -1.422390 -0.984348
H -1.121915 2.475344 -1.698149
H -1.930191 0.923968 -1.410914
H -1.658681 3.214009 0.690418
H -2.003638 0.668729 1.552748
H -3.215861 1.910802 2.085592
H 3.987536 0.785308 2.299963
H 4.224913 -1.118618 -1.581445
H -4.006543 2.420470 -0.711130
H 6.219214 -0.071722 2.853088
H 6.455994 -2.011722 -0.989814
H 7.879436 -2.732558 1.227754
H 8.163247 -1.382041 2.329395
H 8.610613 -1.235873 0.626958
H -1.863760 -1.026411 0.803142
H -5.523480 -2.236385 -2.369659
H -1.757097 -3.164444 -0.468554
H -3.574356 -3.768244 -2.058349
H -5.423667 1.908221 -0.684305
H -6.234515 0.897389 0.577016
H -7.169163 1.447595 -0.878877


%chk=000260302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260302

0 1
O -3.067779 3.659380 -0.796058
O -3.855963 1.077251 -0.009552
O -6.000486 -0.296476 -1.220581
N -0.055345 1.367850 -0.432685
N 2.634252 0.373323 0.036247
C 0.987183 2.224201 0.189723
C 0.594259 0.431027 -1.389162
C 2.033295 1.374673 0.934991
C 1.618077 -0.450135 -0.657997
C -1.141602 2.148647 -1.079548
C -2.110319 2.810157 -0.070930
C 3.887344 -0.205454 0.380200
C -2.869345 1.811853 0.819338
C 4.545935 0.091310 1.609036
C 4.559758 -1.082021 -0.525109
C 5.816829 -0.451844 1.902152
C 5.818912 -1.623958 -0.211210
C 6.483395 -1.321425 1.007593
C -3.670938 -0.288729 -0.317381
C 7.849661 -1.904958 1.324807
C -4.792551 -0.950038 -0.906968
C -2.466287 -0.998841 -0.108122
C -4.673338 -2.303259 -1.290862
C -2.370248 -2.358587 -0.485791
C -3.469392 -3.013234 -1.083529
C -6.724877 0.353958 -0.108383
H 1.507837 2.841359 -0.584678
H 0.516702 2.914199 0.912697
H -0.184196 -0.212636 -1.837591
H 1.108644 0.985784 -2.212124
H 2.824262 2.051746 1.301631
H 1.551175 0.893710 1.819728
H 1.076866 -1.093842 0.076019
H 2.106062 -1.114191 -1.387589
H -0.747336 2.956680 -1.740476
H -1.723520 1.459046 -1.720432
H -1.565640 3.513493 0.585469
H -2.178438 1.128697 1.340052
H -3.479341 2.366610 1.553034
H 4.067054 0.729811 2.357189
H 4.112095 -1.320409 -1.495464
H -3.751817 3.054059 -1.188770
H 6.290983 -0.199175 2.858995
H 6.305013 -2.288292 -0.937434
H 7.837971 -3.010972 1.290343
H 8.191272 -1.605613 2.331136
H 8.614253 -1.566421 0.599141
H -1.588209 -0.484848 0.300028
H -5.545875 -2.777020 -1.751975
H -1.430085 -2.895995 -0.318234
H -3.395554 -4.063618 -1.383582
H -6.128160 1.171360 0.329384
H -6.980279 -0.389282 0.671787
H -7.646271 0.749190 -0.562807


