%chk=000245559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245559

0 1
O 0.746874 -1.121711 -1.983321
O -1.615705 -0.095945 2.012905
N -1.008471 -0.134975 -0.181787
C 0.432741 -0.055610 0.141363
C 0.886921 1.392208 0.144201
C 1.214298 -0.901911 -0.886123
C 2.531797 -1.445970 -0.456289
C 0.741199 2.130626 1.328980
C 1.411181 2.003926 -1.001573
C -1.958981 -0.114552 0.840775
C -3.380996 -0.151108 0.373754
C 1.141418 3.467724 1.370061
C 1.812348 3.342688 -0.953340
C 3.322504 -0.816182 0.515962
C 2.988122 -2.623971 -1.071680
C 1.682400 4.074249 0.230857
C 4.554323 -1.368190 0.876195
C 4.216554 -3.176518 -0.703086
C -4.223779 -1.155821 0.867560
C -3.872925 0.818928 -0.509000
C 4.999412 -2.549067 0.271607
C -5.560510 -1.197458 0.461402
C -5.212004 0.774083 -0.907084
C -6.053573 -0.234701 -0.425657
H 0.582597 -0.498380 1.173789
H -1.253291 -0.148226 -1.171821
H 0.294362 1.660882 2.210301
H 1.503241 1.447269 -1.934703
H 1.027383 4.039450 2.290155
H 2.224494 3.815550 -1.843613
H 2.990060 0.111052 0.987350
H 2.374794 -3.098737 -1.842332
H 1.996679 5.115854 0.265726
H 5.168804 -0.877085 1.629711
H 4.565110 -4.092843 -1.177479
H -3.835847 -1.894017 1.571597
H -3.220485 1.611484 -0.875713
H 5.958882 -2.979102 0.559156
H -6.218529 -1.978178 0.840447
H -5.600064 1.527000 -1.591519
H -7.096338 -0.268314 -0.739732


%chk=000245559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245559

0 1
O 0.588933 -1.330295 -1.887812
O -1.781309 0.151714 2.011314
N -1.063333 -0.206768 -0.161545
C 0.351058 -0.162178 0.226123
C 0.895626 1.278889 0.295895
C 1.145460 -1.011101 -0.790977
C 2.543967 -1.427230 -0.478032
C 0.951760 1.940855 1.546954
C 1.299706 1.967484 -0.875298
C -2.059825 -0.036906 0.779339
C -3.482485 -0.100996 0.287158
C 1.413861 3.273249 1.627300
C 1.763263 3.298776 -0.793708
C 3.187836 -1.095996 0.745780
C 3.242670 -2.203677 -1.443757
C 1.824736 3.954483 0.458074
C 4.504575 -1.534517 0.995018
C 4.556929 -2.640289 -1.192808
C -4.500853 -0.263241 1.260803
C -3.842649 0.010311 -1.081742
C 5.191683 -2.306698 0.028811
C -5.854998 -0.331871 0.874492
C -5.199290 -0.055497 -1.467736
C -6.208214 -0.231874 -0.492338
H 0.428901 -0.603543 1.239056
H -1.245841 -0.509562 -1.124064
H 0.591198 1.421562 2.441941
H 1.250541 1.467636 -1.850394
H 1.444040 3.781358 2.597578
H 2.076983 3.823964 -1.702909
H 2.674680 -0.487399 1.496253
H 2.729153 -2.451676 -2.378457
H 2.184200 4.987789 0.520352
H 4.996058 -1.274153 1.938327
H 5.088036 -3.238732 -1.940702
H -4.200116 -0.326056 2.311740
H -3.080996 0.179265 -1.852105
H 6.214722 -2.646047 0.226115
H -6.633922 -0.461127 1.633948
H -5.469519 0.037667 -2.525320
H -7.260222 -0.283176 -0.794665


