%chk=000259573.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259573

0 1
O 1.539566 1.734876 -0.909565
O -2.742005 1.471001 -0.219967
O 4.756884 -0.685548 0.366724
O -1.915128 0.056253 1.393050
O 5.972032 1.182202 -0.030785
N -0.852427 0.328961 -0.673904
N 2.499280 0.532617 0.775403
C 0.775029 -1.448457 -1.270056
C 0.408390 -0.321803 -0.255800
C 1.517508 0.748362 -0.193545
C 1.911162 -2.305778 -0.706373
C 1.131956 -0.897452 -2.650219
C 3.687194 1.403266 0.851287
C -1.828843 0.570581 0.294133
C 3.943639 1.857564 2.285920
C 4.943408 0.676162 0.341511
C -3.968628 1.669879 0.555725
C -4.966452 0.600437 0.215584
C 5.871941 -1.539373 -0.053169
C -5.975185 0.847799 -0.725818
C -4.889373 -0.650809 0.845837
C 6.894212 -1.631988 1.058931
C -6.909311 -0.148580 -1.024893
C -5.823599 -1.643508 0.542069
C -6.835751 -1.392838 -0.390930
H -0.139255 -2.092132 -1.372572
H 0.249158 -0.789383 0.759207
H 2.856485 -1.749660 -0.626320
H 2.108673 -3.163147 -1.362257
H 1.671980 -2.711556 0.282010
H 1.436954 -1.700516 -3.330991
H 1.956002 -0.172941 -2.613439
H 0.280047 -0.388101 -3.116604
H -0.791446 0.951596 -1.487861
H 2.538549 -0.326834 1.320361
H 3.525573 2.302920 0.178500
H 3.081712 2.418491 2.676427
H 4.816593 2.523922 2.340679
H 4.121687 1.019603 2.970977
H -3.714504 1.689720 1.633308
H -4.263052 2.680148 0.212552
H 6.294301 -1.126767 -0.987146
H 5.343902 -2.491028 -0.244045
H -6.031041 1.811568 -1.229234
H -4.087638 -0.846233 1.564938
H 7.667966 -2.375371 0.831120
H 7.402813 -0.667672 1.212843
H 6.432687 -1.911967 2.014072
H -7.693220 0.045007 -1.754870
H -5.762099 -2.613859 1.031971
H -7.564226 -2.167031 -0.624977


%chk=000259573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259573

0 1
O 1.432260 2.039242 -0.637935
O -2.872806 1.299555 0.750653
O 5.142272 -0.836054 0.377315
O -2.002708 -0.774506 1.490654
O 6.466072 0.887078 -0.480214
N -0.733550 0.737305 0.228660
N 2.903811 0.501503 0.285368
C 0.406700 -1.262101 -0.786729
C 0.492380 -0.065140 0.233090
C 1.644619 0.916250 -0.073243
C 1.521807 -2.309797 -0.565522
C 0.357720 -0.778944 -2.251959
C 4.091263 1.320020 -0.008888
C -1.868228 0.318547 0.868450
C 4.292666 2.462678 1.025473
C 5.358285 0.466301 -0.085154
C -4.193530 0.941759 1.366697
C -5.102285 0.234397 0.383323
C 6.331526 -1.751202 0.399983
C -6.032153 0.969079 -0.395217
C -5.035644 -1.175531 0.232126
C 7.108128 -1.590995 1.708221
C -6.879590 0.310071 -1.313911
C -5.881632 -1.835272 -0.686246
C -6.805793 -1.094722 -1.460957
H -0.558388 -1.748043 -0.540878
H 0.627154 -0.503968 1.242313
H 2.514138 -1.934549 -0.877997
H 1.311117 -3.213278 -1.165860
H 1.578827 -2.625674 0.494738
H 0.165338 -1.630590 -2.929683
H 1.312871 -0.311651 -2.557295
H -0.446004 -0.036519 -2.401440
H -0.682584 1.659891 -0.217296
H 3.056290 -0.409869 0.722272
H 3.945654 1.790537 -0.999802
H 3.398682 3.106960 1.018032
H 5.174295 3.067451 0.753901
H 4.435134 2.054221 2.041396
H -3.993633 0.317443 2.254821
H -4.598896 1.921287 1.666091
H 6.960045 -1.516702 -0.476451
H 5.887124 -2.753600 0.295475
H -6.088926 2.058967 -0.282960
H -4.308361 -1.738218 0.828142
H 7.932298 -2.327312 1.740979
H 7.547514 -0.582413 1.783611
H 6.456416 -1.766753 2.581358
H -7.595513 0.887123 -1.910010
H -5.823969 -2.924111 -0.796158
H -7.464113 -1.607548 -2.171536


