%chk=000298108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298108

0 1
O -2.001129 0.471437 1.759521
O -2.814357 -2.446350 -1.056780
O -0.394361 1.164569 -0.287629
N -0.266826 -1.000780 -1.028983
N 0.799405 -0.782896 -1.938642
C -3.396266 -0.233254 -0.133443
C -2.029776 -0.366815 0.610588
C -3.408318 -1.174024 -1.365215
C -3.613601 1.205064 -0.613323
C -4.504213 -0.639330 0.847412
C -0.831366 0.022036 -0.275930
C 2.098612 -1.325224 -1.409533
C 2.807226 -0.414739 -0.439241
C 3.802353 0.461353 -0.895887
C 2.467632 -0.433805 0.921208
C 4.454786 1.308643 0.004189
C 3.120422 0.417507 1.816830
C 4.115694 1.287997 1.360752
H -1.915476 -1.390589 1.039160
H -4.430564 -1.330555 -1.748835
H -2.771244 -0.800847 -2.190579
H -4.523643 1.304491 -1.213946
H -2.773089 1.576156 -1.215641
H -3.716062 1.891843 0.237843
H -4.464650 -1.700672 1.108003
H -4.401410 -0.077601 1.790394
H -5.500979 -0.425300 0.449083
H -1.749617 1.399928 1.500341
H -0.739139 -1.908913 -1.166110
H -3.375018 -2.940591 -0.424852
H 0.908477 0.244479 -2.093709
H 2.720143 -1.507342 -2.319235
H 1.935777 -2.329469 -0.958242
H 4.067912 0.486678 -1.950745
H 1.687437 -1.103001 1.279583
H 5.226135 1.988470 -0.353293
H 2.848442 0.406063 2.871140
H 4.621748 1.950982 2.059443


%chk=000298108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298108

0 1
O -2.041274 1.335884 1.350360
O -2.403046 -2.499757 -0.644684
O -0.396535 1.546689 -0.742665
N -0.253408 -0.757590 -1.057131
N 0.727218 -0.651157 -2.097733
C -3.341100 -0.193588 -0.115990
C -1.940286 0.131354 0.535617
C -3.239838 -1.369181 -1.123734
C -3.873963 1.042672 -0.880821
C -4.308279 -0.556499 1.040688
C -0.794466 0.355492 -0.477443
C 2.067006 -1.214105 -1.693038
C 2.745960 -0.514046 -0.523571
C 3.601330 0.595869 -0.745482
C 2.507047 -0.934047 0.809875
C 4.196699 1.277243 0.338396
C 3.097465 -0.252891 1.898272
C 3.943750 0.855396 1.664900
H -1.668258 -0.703369 1.209675
H -4.255636 -1.735590 -1.374275
H -2.743932 -1.053216 -2.055955
H -4.830013 0.808422 -1.386133
H -3.154381 1.392099 -1.643874
H -4.051820 1.871820 -0.175752
H -4.026277 -1.509327 1.534732
H -4.280026 0.233683 1.809968
H -5.346058 -0.655146 0.671233
H -1.529742 2.038709 0.850219
H -0.722678 -1.672465 -0.939147
H -2.840879 -2.938833 0.125219
H 0.800545 0.360581 -2.311440
H 2.686167 -1.154000 -2.606610
H 1.910292 -2.285570 -1.473257
H 3.800590 0.928835 -1.772481
H 1.858785 -1.799568 0.994906
H 4.856235 2.132213 0.151588
H 2.900482 -0.585477 2.923740
H 4.403419 1.384061 2.507528


