%chk=000197244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197244

0 1
O -3.261853 -0.831367 0.602509
O -1.238800 -2.742745 1.917902
O -2.531993 2.744133 0.432277
O 1.755261 0.024108 -0.985812
O 3.646593 -1.127084 -1.524984
O 3.350115 1.585611 -0.519609
N 0.177262 -1.177278 1.032354
N -4.451521 1.633498 0.939293
N 2.447654 -3.592891 -0.702167
N 0.380859 2.211190 0.480808
C -2.157671 -0.566392 1.521799
C -2.437722 0.346646 0.359606
C -1.053541 -1.617159 1.496739
C -3.121997 1.681583 0.576969
C 1.303672 -2.125692 0.912301
C 1.707792 -2.323646 -0.572858
C 2.541564 -1.130323 -1.069609
C 0.972282 2.236654 -0.881474
C 2.214296 1.338216 -0.784750
C 1.390290 3.612382 -1.391108
H -2.471603 -0.294368 2.539144
H -1.827079 0.303731 -0.552635
H 0.338892 -0.219016 0.693377
H 2.163105 -1.760345 1.516250
H 1.005454 -3.123977 1.338070
H 0.775163 -2.384147 -1.204495
H -4.953526 0.758037 1.018430
H -4.980767 2.484807 1.058841
H 2.631916 -3.820295 -1.676352
H 3.342037 -3.564648 -0.217589
H 0.238655 1.769180 -1.595640
H 2.189254 4.059388 -0.781924
H 1.769018 3.569984 -2.421064
H 0.543281 4.311375 -1.388193
H 0.919179 2.787359 1.126794
H -0.574823 2.596591 0.463602


%chk=000197244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197244

0 1
O -3.312072 -0.891328 0.342726
O -1.121045 -2.840410 1.433886
O -2.444580 2.753765 0.542107
O 1.550662 -0.054237 -1.330877
O 3.378891 -1.367014 -2.039004
O 3.324649 1.438089 -0.879939
N 0.204513 -0.942857 1.059044
N -4.448595 1.589475 0.884078
N 2.621440 -3.464692 -0.389817
N 0.408144 1.979388 0.496810
C -2.192693 -0.651524 1.333451
C -2.462968 0.350690 0.244522
C -0.993997 -1.587652 1.261424
C -3.121214 1.671676 0.565861
C 1.437155 -1.732474 0.981555
C 1.728348 -2.320035 -0.458185
C 2.352586 -1.259062 -1.358051
C 0.966827 2.233997 -0.870591
C 2.115701 1.231673 -1.052460
C 1.441457 3.679722 -1.110548
H -2.563210 -0.442168 2.346428
H -1.783069 0.371740 -0.615431
H 0.242337 0.091635 0.853914
H 2.296592 -1.132088 1.326204
H 1.336939 -2.610630 1.640247
H 0.727634 -2.560698 -0.887413
H -4.908604 0.676464 0.842032
H -4.968869 2.429109 1.135762
H 2.190744 -4.366614 -0.195170
H 3.405241 -3.469340 -1.043939
H 0.174688 1.965272 -1.592322
H 2.283284 3.930313 -0.441026
H 1.787910 3.821637 -2.150097
H 0.608969 4.379173 -0.920471
H 1.027029 2.371778 1.221960
H -0.550125 2.380331 0.580130


