%chk=000209651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209651

0 1
O 0.660267 -1.192521 -1.465760
O -2.366143 3.377269 1.372436
O 2.023120 -4.419823 0.331466
O 0.390412 1.088587 -0.671204
N -0.220655 -3.093971 -0.588799
N -1.843946 1.270316 0.691498
C -3.104481 -2.230474 0.135716
C -3.504984 -0.953507 -0.613552
C -2.688941 -3.365872 -0.809173
C -4.045974 0.140612 0.315568
C -1.361227 -3.112325 -1.538115
C -3.028311 0.666656 1.342210
C 0.708839 -2.072353 -0.601180
C -1.642240 2.645812 0.701265
C 1.728432 -2.079912 0.486969
C -0.519066 3.195803 -0.115594
C 2.404451 -3.235705 0.918613
C 0.439451 2.441861 -0.821596
C 2.059561 -0.860946 1.102563
C -0.431548 4.597927 -0.203347
C 3.400014 -3.197265 1.906821
C 1.426983 3.045866 -1.621169
C 3.036398 -0.805227 2.097611
C 0.549104 5.214058 -0.979618
C 3.708769 -1.968560 2.491977
C 1.471654 4.435930 -1.692560
H -2.277923 -2.006310 0.839025
H -3.949468 -2.573730 0.764515
H -4.276610 -1.190292 -1.372688
H -2.637324 -0.567348 -1.186398
H -2.632839 -4.312820 -0.236651
H -3.479862 -3.529085 -1.569627
H -4.935782 -0.231767 0.859869
H -4.407760 0.989089 -0.301855
H -1.392830 -2.139213 -2.088830
H -1.183898 -3.903982 -2.301027
H -3.516549 1.431304 1.996631
H -2.679982 -0.154987 2.006226
H -0.145841 -3.870092 0.064804
H -1.301385 0.649267 0.082916
H 1.533285 0.054452 0.793176
H -1.161572 5.198517 0.354232
H 3.917161 -4.101120 2.212470
H 2.139921 2.435162 -2.166254
H 3.276195 0.148457 2.566473
H 0.595767 6.299009 -1.034445
H 4.478072 -1.916663 3.264492
H 2.231438 4.921928 -2.305912
H 2.588649 -5.180601 0.618239
H 0.925299 0.556890 -1.358625


%chk=000209651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209651

0 1
O 1.484960 -0.685013 -0.874849
O -3.370167 3.722531 0.702040
O 1.306392 -4.424350 1.176247
O -0.332839 1.073290 -0.665994
N 0.217071 -2.593528 -0.443882
N -2.537874 1.539914 0.679544
C -2.998172 -1.987844 0.093773
C -3.760652 -0.847741 -0.627709
C -2.224061 -2.890885 -0.903365
C -4.563092 0.107983 0.289828
C -0.878571 -2.299311 -1.393093
C -3.703411 0.912740 1.304526
C 1.333123 -1.823215 -0.283994
C -2.458414 2.886669 0.384500
C 2.429334 -2.332177 0.614184
C -1.195713 3.325467 -0.329777
C 2.427615 -3.572799 1.313924
C -0.173002 2.451335 -0.815681
C 3.565067 -1.494105 0.769975
C -1.025407 4.720169 -0.521639
C 3.514888 -3.955317 2.131254
C 0.977501 2.975474 -1.457982
C 4.654197 -1.862172 1.581654
C 0.114422 5.248358 -1.158893
C 4.628218 -3.100191 2.265562
C 1.121077 4.368106 -1.624745
H -2.291420 -1.577109 0.842768
H -3.726332 -2.604140 0.658911
H -4.463618 -1.308323 -1.352328
H -3.049911 -0.246466 -1.229330
H -2.037709 -3.890283 -0.457685
H -2.864721 -3.067724 -1.789497
H -5.326106 -0.464656 0.857143
H -5.108716 0.828633 -0.349200
H -0.954573 -1.207798 -1.527138
H -0.612139 -2.729301 -2.380273
H -4.313775 1.714752 1.754492
H -3.356955 0.248406 2.120685
H 0.200452 -3.492405 0.058210
H -1.755589 0.960608 0.337031
H 3.552420 -0.544588 0.226062
H -1.827498 5.365720 -0.147331
H 3.491072 -4.916120 2.661799
H 1.747355 2.285740 -1.823539
H 5.514248 -1.193621 1.683044
H 0.221184 6.330058 -1.291007
H 5.467301 -3.401427 2.901398
H 2.014737 4.762837 -2.121804
H 1.406561 -5.248554 1.711359
H 0.477344 0.470676 -0.875372


