%chk=000244154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244154

0 1
O -3.279245 3.391673 0.122781
O -2.922614 -4.097068 0.870954
N 0.552265 -0.481914 -0.789200
N -3.759343 -2.268411 -0.181204
C -1.122275 -1.141468 0.618308
C 0.069894 -1.540250 0.004630
C -0.316085 0.626853 -0.639448
C -1.385947 0.217373 0.226874
C 1.840748 -0.457289 -1.501357
C -1.969886 -1.966379 1.507560
C -2.430353 1.116106 0.521350
C -0.268864 1.916712 -1.204644
C 0.768045 -2.839191 0.085098
C 3.016585 -0.271543 -0.567154
C -2.356684 2.378425 -0.047306
C -1.291768 2.792329 -0.906176
C -2.884914 -2.887330 0.715961
C 4.108521 -1.147279 -0.644771
C 3.030356 0.782125 0.357714
C 5.210156 -0.964565 0.196409
C 4.132204 0.957270 1.198764
C 5.223971 0.086349 1.118617
C -4.402858 3.139098 0.998939
H 1.829833 0.369922 -2.252786
H 1.941199 -1.402837 -2.087400
H -1.344989 -2.590203 2.186912
H -2.576279 -1.324817 2.183577
H -3.235350 0.812089 1.177787
H 0.551037 2.210606 -1.855360
H 1.795327 -2.729575 0.468498
H 0.241571 -3.537279 0.759000
H 0.826273 -3.339575 -0.893177
H -1.316781 3.803841 -1.306367
H 4.106536 -1.969357 -1.357727
H 2.176927 1.458165 0.428993
H 6.058581 -1.644433 0.133277
H 4.138955 1.774419 1.919238
H 6.081825 0.225827 1.774068
H -3.615362 -1.315220 -0.477849
H -4.312437 -2.841861 -0.799952
H -4.940478 4.095195 0.956870
H -4.054271 2.929841 2.014410
H -5.017723 2.325826 0.603489


%chk=000244154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244154

0 1
O -3.360884 3.426451 0.035652
O -4.144518 -3.247316 1.666772
N 0.567723 -0.493483 -0.692093
N -3.531738 -2.357881 -0.391297
C -1.171104 -1.148222 0.654891
C 0.047966 -1.552049 0.083714
C -0.311486 0.603344 -0.613227
C -1.413200 0.217135 0.220726
C 1.841637 -0.510492 -1.417171
C -2.056782 -1.952920 1.568890
C -2.470537 1.136175 0.469661
C -0.236619 1.889116 -1.196152
C 0.771946 -2.863297 0.191212
C 3.082829 -0.306939 -0.541334
C -2.391415 2.414780 -0.119580
C -1.285303 2.788773 -0.943853
C -3.336377 -2.576574 0.957736
C 4.332935 -0.813812 -0.975694
C 3.015005 0.406464 0.680139
C 5.500314 -0.603501 -0.208143
C 4.181499 0.614168 1.450856
C 5.427700 0.112750 1.009222
C -4.523252 3.113246 0.865710
H 1.794049 0.284809 -2.184809
H 1.935589 -1.465078 -1.968663
H -1.506793 -2.794208 2.028585
H -2.407907 -1.336197 2.418948
H -3.314665 0.843196 1.100739
H 0.609022 2.197244 -1.820315
H 1.806589 -2.733633 0.560640
H 0.244428 -3.533803 0.888337
H 0.832106 -3.386985 -0.783407
H -1.280346 3.797375 -1.367374
H 4.395161 -1.377730 -1.915673
H 2.050623 0.791927 1.028932
H 6.460560 -1.002262 -0.554163
H 4.116834 1.166783 2.394856
H 6.330737 0.273730 1.608366
H -2.875364 -1.789060 -0.926394
H -4.362841 -2.744655 -0.836811
H -5.143521 4.021680 0.851456
H -4.225722 2.881219 1.907629
H -5.098574 2.261934 0.450686


