%chk=000250325.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250325

0 1
O 1.614942 0.195608 -1.982047
O -1.637733 -1.735506 -1.552697
O 4.293613 -0.395867 -2.608100
O 2.818134 -1.624544 1.620195
O -3.564074 -3.783920 -1.651993
O -2.624192 -1.998455 2.529705
N 0.950715 -0.185676 0.187885
N -1.419176 -0.632003 0.463441
N 3.140554 -0.849243 -0.576638
N -2.795510 -2.600751 0.263418
C -0.426488 0.341766 -0.051799
C -0.570366 1.677759 0.660715
C -0.473809 2.882087 -0.119864
C -0.645601 4.132003 0.533475
C -0.768020 1.748138 2.021767
C -0.196214 2.877136 -1.525402
C -0.877814 4.168156 1.944676
C -0.926977 3.004875 2.669803
C -0.573165 5.341917 -0.229535
C 1.848622 -0.240221 -0.876715
C -1.898628 -1.641280 -0.377379
C -0.124514 4.050304 -2.231638
C -0.322869 5.301434 -1.577324
C 4.262248 -0.892632 -1.527100
C 3.518060 -1.524932 0.646657
C -3.547112 -3.630257 -0.472140
C -3.075987 -2.719696 1.678644
C 5.338674 -1.678613 -0.800452
C 4.921523 -2.031073 0.418587
C -4.280466 -4.403176 0.608737
C -4.016832 -3.891402 1.814150
H -0.575428 0.451324 -1.179208
H 1.186064 -0.526883 1.127885
H -1.638712 -0.617063 1.470222
H -0.812125 0.848368 2.636839
H -0.019484 1.918258 -2.030973
H -1.008211 5.135555 2.429060
H -1.090430 3.020452 3.746636
H -0.718480 6.291114 0.284064
H 0.090718 4.043336 -3.300400
H -0.266398 6.216018 -2.165879
H 6.281738 -1.871158 -1.293443
H 5.429252 -2.588898 1.193130
H -4.908689 -5.239215 0.332476
H -4.369650 -4.193742 2.790657


%chk=000250325-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250325

0 1
O 1.456546 0.154280 -2.227515
O -0.922424 -2.216367 -1.250322
O 4.122144 -0.653846 -2.927018
O 2.760783 -1.482164 1.533151
O -2.387060 -4.685950 -1.022295
O -3.383032 -1.330497 2.167709
N 0.918746 -0.138431 0.030864
N -1.417906 -0.644197 0.408714
N 3.018149 -0.885863 -0.779293
N -2.574771 -2.717303 0.382766
C -0.468091 0.359974 -0.103424
C -0.660857 1.694727 0.629488
C -0.453094 2.942244 -0.073140
C -0.656437 4.186728 0.649365
C -0.997563 1.711952 1.990176
C -0.042285 3.017155 -1.449512
C -1.022683 4.154334 2.034678
C -1.179069 2.938587 2.697456
C -0.479925 5.436424 -0.031576
C 1.733746 -0.247207 -1.072499
C -1.563632 -1.850721 -0.240423
C 0.125368 4.252082 -2.080993
C -0.101873 5.473665 -1.373843
C 4.087616 -1.061384 -1.752839
C 3.422206 -1.475106 0.459332
C -2.900631 -4.060892 -0.078051
C -3.399089 -2.406202 1.508564
C 5.168265 -1.827662 -1.034451
C 4.781516 -2.064733 0.246277
C -3.992875 -4.550740 0.838096
C -4.278325 -3.591505 1.757232
H -0.629408 0.473353 -1.188929
H 1.247309 -0.488021 0.943386
H -2.046048 -0.419129 1.193331
H -1.121700 0.775500 2.547282
H 0.179399 2.105540 -2.013880
H -1.170970 5.102186 2.565542
H -1.447422 2.912844 3.758576
H -0.644384 6.365863 0.526721
H 0.444233 4.282974 -3.128342
H 0.031056 6.432684 -1.886267
H 6.093269 -2.102964 -1.541007
H 5.308370 -2.581627 1.047921
H -4.429949 -5.541359 0.712378
H -5.005515 -3.599824 2.568713


