%chk=000201380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201380

0 1
O -0.207924 2.878499 0.161987
O 1.313035 2.280058 -1.365095
O 2.278766 -2.479351 0.181008
O 1.008441 -1.585040 1.792880
N -1.095727 0.149713 -0.768753
C -2.309796 0.790841 -0.144682
C -1.415234 -1.317788 -0.735428
C -2.933677 -0.222185 0.840462
C -2.272259 -1.575805 0.521385
C 0.153028 0.531804 -0.024500
C 1.350351 -0.383754 -0.325893
C 0.510574 1.932761 -0.535712
C 1.477492 -1.479901 0.684431
H -3.004634 1.014863 -0.982175
H -2.073294 1.758459 0.340446
H -0.526485 -1.965842 -0.785110
H -1.999297 -1.520288 -1.661888
H -4.028008 -0.268205 0.719927
H -2.748260 0.071783 1.887148
H -1.640421 -1.913196 1.364078
H -3.017218 -2.367432 0.349055
H -0.007526 0.582094 1.091960
H 2.305020 0.198827 -0.353943
H 1.288107 -0.795327 -1.364085
H -0.020969 3.806834 -0.144119
H 2.418615 -3.224223 0.826413


%chk=000201380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201380

0 1
O -0.238546 3.041927 -0.126655
O 1.409992 2.192640 -1.517692
O 2.093885 -2.546983 0.297925
O 0.742153 -1.524246 1.881991
N -1.105452 0.226964 -0.686742
C -2.340784 0.734948 -0.010873
C -1.390752 -1.228381 -0.873578
C -2.728885 -0.366762 1.020468
C -2.272435 -1.696378 0.342142
C 0.163102 0.649424 -0.003679
C 1.347534 -0.314639 -0.195225
C 0.540364 1.996947 -0.641768
C 1.322358 -1.478298 0.774319
H -3.133667 0.838460 -0.777262
H -2.164951 1.726917 0.431693
H -0.471654 -1.821647 -0.999284
H -1.966494 -1.333414 -1.813086
H -3.808044 -0.353168 1.253560
H -2.176547 -0.213888 1.965226
H -1.693454 -2.315467 1.047285
H -3.132552 -2.293515 -0.010283
H 0.011190 0.804152 1.087770
H 2.290061 0.237366 -0.011965
H 1.420412 -0.674274 -1.234134
H -0.014597 3.884935 -0.607733
H 2.100462 -3.275421 0.977375


