%chk=000212345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212345

0 1
O -1.024667 1.083585 -0.958051
O 0.937714 1.703986 -1.894016
O 3.040407 0.995791 -0.282691
O 2.529407 -0.174552 1.625870
N 0.857481 0.540543 0.184984
N 6.483918 -0.407692 -0.153128
C -3.549620 -0.416446 -1.056646
C -4.453938 0.562361 -0.266335
C -1.529934 0.382894 0.256782
C -2.305315 -0.832145 -0.246129
C -3.636216 1.782678 0.195800
C -2.391279 1.401254 1.004824
C -4.354923 -1.649658 -1.507918
C -5.165660 -0.134897 0.907692
C -5.092945 -2.333941 -0.349715
C -5.977097 -1.341379 0.417250
C -0.239851 -0.003084 1.035586
C 0.347506 1.176729 -0.997255
C 2.197413 0.398126 0.609529
C 4.475343 0.930311 0.025668
C 4.998324 -0.466424 -0.329738
C 7.184268 -1.185451 -1.216518
C 6.879752 -0.895769 1.201004
H -3.184361 0.119914 -1.970979
H -5.242333 0.931014 -0.970935
H -2.611026 -1.459653 0.614635
H -1.651863 -1.463977 -0.879486
H -4.271621 2.464362 0.790927
H -3.317306 2.361484 -0.697410
H -1.798418 2.313505 1.218885
H -2.689634 0.982154 1.986038
H -3.687475 -2.375214 -2.009032
H -5.087640 -1.336699 -2.277712
H -5.831110 0.582063 1.422942
H -4.426855 -0.461280 1.662615
H -4.362574 -2.796261 0.341339
H -5.710697 -3.164838 -0.739502
H -6.804963 -0.998063 -0.232745
H -6.455220 -1.847862 1.276246
H -0.197421 0.439972 2.053621
H -0.122161 -1.100700 1.162647
H 4.860035 1.720700 -0.647364
H 4.635253 1.199373 1.082018
H 4.498327 -1.233859 0.301226
H 4.722586 -0.704819 -1.379865
H 8.272629 -1.074733 -1.079849
H 6.948195 -2.259073 -1.239792
H 6.939263 -0.750638 -2.199530
H 7.956618 -0.708872 1.342512
H 6.345278 -0.314360 1.969837
H 6.686504 -1.962860 1.384768


%chk=000212345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212345

0 1
O -0.962109 0.408343 -1.385029
O 1.082496 1.159673 -2.216647
O 3.015835 0.929499 -0.182885
O 2.443979 -0.585593 1.519390
N 0.873212 0.073195 -0.070279
N 6.645803 -0.103138 0.059382
C -3.809224 -0.567496 -1.049337
C -4.394359 0.646137 -0.261973
C -1.486049 -0.102983 -0.049566
C -2.557064 -1.159973 -0.349468
C -3.293227 1.705235 -0.000480
C -2.060908 1.107665 0.715579
C -4.899363 -1.643069 -1.297422
C -5.119238 0.197577 1.035562
C -5.635361 -2.074730 -0.004792
C -6.218380 -0.850196 0.740180
C -0.205598 -0.677315 0.610948
C 0.430511 0.621145 -1.315213
C 2.160226 0.084028 0.492069
C 4.429956 0.950921 0.301028
C 5.259961 -0.102056 -0.457069
C 7.668002 -0.388291 -0.966019
C 6.816574 -0.932825 1.270037
H -3.465518 -0.188861 -2.033608
H -5.164495 1.112743 -0.913432
H -2.832355 -1.639266 0.611336
H -2.115362 -1.948857 -0.988492
H -3.702894 2.535942 0.606636
H -2.964204 2.136479 -0.965198
H -1.272728 1.875925 0.835476
H -2.334724 0.766527 1.733925
H -4.451238 -2.525658 -1.796742
H -5.646491 -1.226533 -2.004079
H -5.560949 1.084886 1.531462
H -4.395787 -0.235290 1.756770
H -4.940123 -2.616544 0.669026
H -6.443100 -2.788426 -0.258019
H -7.005910 -0.384219 0.111864
H -6.707139 -1.169915 1.681012
H -0.169466 -0.500238 1.697084
H -0.096383 -1.762577 0.427181
H 4.781309 1.967190 0.072288
H 4.440989 0.772738 1.389682
H 4.767459 -1.100231 -0.366147
H 5.269624 0.162489 -1.529052
H 8.674157 -0.246421 -0.531174
H 7.615988 -1.429486 -1.373460
H 7.560736 0.316790 -1.808828
H 7.813183 -0.748700 1.709805
H 6.057866 -0.669905 2.026867
H 6.723975 -2.028737 1.062728


