%chk=000255948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255948

0 1
O 0.578353 1.551036 1.816909
O 0.746930 1.465002 -1.488003
O 1.576106 -3.591826 0.982947
O 2.699863 1.396765 1.034604
O 1.474956 -0.568134 -2.176434
N 1.823649 -1.349922 0.530478
C -0.466330 -0.607044 0.602854
C 0.999739 -0.173684 0.215661
C -1.525906 -0.118255 -0.386960
C -0.401082 -2.144281 0.725383
C -2.945708 -0.337989 0.151983
C 1.065358 -2.519993 0.765769
C 1.559111 1.005225 1.041483
C 1.126254 0.164861 -1.288948
C -4.000742 0.155761 -0.846953
C -5.423455 -0.060712 -0.312095
C -6.477996 0.428344 -1.302047
C 0.943818 2.670816 2.696502
C 0.885900 2.028250 -2.837495
C 1.680171 2.149432 3.909828
C 2.340664 2.336164 -3.110756
H -0.690511 -0.172445 1.612703
H -1.369759 0.965436 -0.587102
H -1.413742 -0.625034 -1.366254
H -0.925283 -2.509915 1.627618
H -0.889901 -2.654759 -0.129677
H 2.823747 -1.342137 0.352400
H -3.108980 -1.411304 0.369600
H -3.068550 0.189497 1.118447
H -3.842712 1.229518 -1.065659
H -3.881681 -0.368197 -1.815037
H -5.547058 0.465133 0.654976
H -5.585484 -1.134895 -0.095105
H -6.371887 1.498956 -1.510774
H -7.490102 0.269669 -0.912561
H -6.409937 -0.100352 -2.259766
H -0.058553 3.075873 2.927551
H 1.538275 3.393443 2.109856
H 0.254548 2.930864 -2.742451
H 0.453063 1.313170 -3.558750
H 1.836384 2.939198 4.654945
H 2.672224 1.755761 3.637494
H 1.133702 1.332697 4.399261
H 2.462088 2.938464 -4.019068
H 2.929961 1.416107 -3.244843
H 2.800193 2.889740 -2.279414


%chk=000255948-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255948

0 1
O 0.492532 1.697413 1.595796
O 1.143540 1.535930 -1.450257
O 1.690420 -3.752439 0.696483
O 2.745805 1.152611 1.343185
O 1.286784 -0.663436 -2.217453
N 1.871083 -1.411617 0.505747
C -0.415381 -0.752368 0.509034
C 1.054967 -0.230638 0.218149
C -1.538302 -0.041694 -0.272251
C -0.301067 -2.280858 0.268009
C -2.946427 -0.495637 0.175787
C 1.176585 -2.619545 0.515814
C 1.535163 0.937477 1.102103
C 1.191509 0.161099 -1.284792
C -4.079830 0.240943 -0.572625
C -5.492476 -0.199515 -0.125731
C -6.619977 0.542081 -0.875754
C 0.870032 2.876185 2.445972
C 1.257320 2.053725 -2.855742
C 1.047982 2.451565 3.905123
C 2.726863 2.169909 -3.265931
H -0.581367 -0.575136 1.588905
H -1.443659 1.051380 -0.126230
H -1.423011 -0.240438 -1.357799
H -0.940990 -2.879872 0.934755
H -0.548294 -2.549806 -0.776259
H 2.887044 -1.351176 0.597730
H -3.056900 -1.587914 0.017879
H -3.056602 -0.323244 1.267156
H -3.971989 1.335034 -0.417935
H -3.972418 0.069287 -1.664158
H -5.598457 -0.029961 0.965399
H -5.599553 -1.292392 -0.281899
H -6.554063 1.634382 -0.711604
H -7.618591 0.209644 -0.537607
H -6.555720 0.362925 -1.965694
H 0.023856 3.567955 2.310066
H 1.795821 3.314994 2.035237
H 0.756507 3.033243 -2.806337
H 0.701792 1.370734 -3.522037
H 1.245413 3.343064 4.528756
H 1.902040 1.762347 4.011435
H 0.137944 1.958722 4.288394
H 2.795691 2.637905 -4.265362
H 3.200494 1.175611 -3.319335
H 3.287584 2.795826 -2.551022


