%chk=000191491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191491

0 1
O 3.520177 -1.452427 -1.647487
O -4.947856 -0.973945 -1.280311
N 1.687983 0.194505 0.206705
C -0.871653 1.522305 -0.302539
C -0.028685 1.830976 0.971127
C 0.779157 0.556951 1.338772
C 0.074674 1.108571 -1.456401
C -0.215867 -0.541533 1.787948
C 0.959193 -0.085440 -1.071290
C -1.803187 0.341842 -0.013036
C -1.469428 -0.627276 0.962211
C -1.683496 2.764509 -0.704469
C 0.904307 3.033863 0.822225
C 2.603597 -0.931173 0.569075
C -2.977413 0.186090 -0.754986
C 3.872008 -0.953272 -0.334093
C -2.326859 -1.712999 1.192427
C -3.811978 -0.911748 -0.501694
C -3.510588 -1.873168 0.468749
C 4.459791 0.422349 -0.617250
C 4.907698 -1.911608 0.274954
H -0.738159 2.045277 1.808526
H 1.445925 0.795894 2.209205
H 0.712660 1.971332 -1.729863
H -0.509957 0.855728 -2.359740
H -0.500737 -0.349029 2.844082
H 0.292970 -1.525755 1.795152
H 0.346328 -1.011196 -1.019691
H 1.730311 -0.252057 -1.863539
H -1.034151 3.637184 -0.843917
H -2.225138 2.612957 -1.644962
H -2.421914 3.022308 0.062944
H 1.701526 2.828281 0.093069
H 0.366558 3.927334 0.488045
H 1.393230 3.274222 1.771684
H 2.108551 -1.924425 0.523003
H 2.934145 -0.789130 1.621505
H -3.264233 0.895875 -1.529699
H -2.070052 -2.453175 1.950257
H -4.166010 -2.715043 0.655905
H 5.312381 0.356035 -1.301733
H 4.774723 0.923759 0.301910
H 3.707229 1.069111 -1.096542
H 4.483067 -2.884875 0.533231
H 5.721693 -2.091337 -0.439804
H 5.361478 -1.494932 1.179654
H 3.218597 -2.374823 -1.611740
H -5.499595 -1.762490 -1.064379


%chk=000191491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191491

0 1
O 3.776767 -1.314909 -1.745519
O -5.205248 -0.848717 -1.154343
N 1.649505 0.068759 0.131684
C -0.892554 1.486843 -0.341936
C 0.003029 1.773337 0.917915
C 0.777862 0.475494 1.270340
C 0.029586 1.000475 -1.511934
C -0.232597 -0.604068 1.760165
C 0.911991 -0.201263 -1.128579
C -1.879648 0.344248 0.004273
C -1.535515 -0.654876 0.966296
C -1.635039 2.770553 -0.787583
C 0.967174 2.971740 0.787095
C 2.657785 -0.946391 0.474704
C -3.114501 0.230501 -0.679494
C 3.993475 -0.876732 -0.332475
C -2.440306 -1.715790 1.212683
C -4.000562 -0.834481 -0.419898
C -3.671201 -1.823766 0.534672
C 4.530390 0.554230 -0.453428
C 5.025841 -1.826377 0.318441
H -0.682119 1.982476 1.767641
H 1.461816 0.701950 2.112827
H 0.678246 1.841063 -1.824485
H -0.598454 0.727481 -2.381926
H -0.470822 -0.390374 2.823459
H 0.251093 -1.601891 1.754185
H 0.283470 -1.123390 -1.043856
H 1.656331 -0.385455 -1.921192
H -0.913094 3.568508 -1.032570
H -2.237831 2.601800 -1.697469
H -2.309632 3.143000 0.005729
H 1.694785 2.820344 -0.028134
H 0.432184 3.922396 0.618059
H 1.546116 3.083531 1.723806
H 2.264960 -1.995372 0.370733
H 2.915154 -0.816649 1.544496
H -3.421236 0.966338 -1.426874
H -2.171851 -2.478626 1.954590
H -4.353805 -2.657705 0.743873
H 5.446685 0.560509 -1.068844
H 4.763678 0.967128 0.544462
H 3.771588 1.200105 -0.922740
H 4.612487 -2.848466 0.435022
H 5.925457 -1.887732 -0.318304
H 5.330466 -1.468612 1.319009
H 3.470258 -2.258986 -1.731039
H -5.759161 -1.627776 -0.900338


