%chk=000236257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236257

0 1
O -0.665489 0.018652 -1.955299
O 1.602332 1.288457 -1.559231
N 2.651366 1.346352 0.446581
C -0.806804 0.201445 -0.543973
C 0.570532 -0.045785 0.167622
C -1.815975 -0.847384 -0.089877
C -1.348013 1.611334 -0.296873
C 1.048920 -1.469148 -0.006402
C 1.632488 0.905957 -0.387967
C -2.112582 -1.934002 -0.924104
C -1.022159 2.366975 0.834996
C -2.439412 -0.738200 1.161054
C -2.232745 2.142809 -1.248786
C 2.814984 0.919626 1.858638
C 3.681019 2.276036 -0.103234
C 1.461265 -1.935302 -1.264018
C 1.081963 -2.330969 1.100390
C -3.027661 -2.905163 -0.508925
C -1.572430 3.640452 1.013714
C -3.351773 -1.713359 1.573119
C -2.780343 3.414524 -1.070152
C 1.915914 -3.247653 -1.408569
C 1.537651 -3.643757 0.948789
C 2.028301 1.820290 2.810319
C 4.945223 1.530052 -0.522317
C -3.646886 -2.797557 0.740143
C -2.451737 4.166263 0.063309
C 1.959395 -4.103119 -0.302598
H 0.398872 0.154358 1.257448
H 0.048569 0.637706 -2.314583
H -1.621505 -2.010215 -1.898666
H -0.327380 1.978858 1.587353
H -2.228216 0.110035 1.809489
H -2.483801 1.548782 -2.132110
H 2.502613 -0.143964 1.971989
H 3.898652 0.943425 2.118983
H 3.242323 2.804367 -0.987271
H 3.909685 3.048724 0.661673
H 1.406436 -1.269072 -2.129540
H 0.735036 -1.992012 2.073981
H -3.255828 -3.746761 -1.160230
H -1.312929 4.223496 1.894877
H -3.836578 -1.625573 2.543103
H -3.463817 3.820326 -1.814185
H 2.233292 -3.605185 -2.386970
H 1.558010 -4.311531 1.808132
H 2.414992 2.847072 2.808791
H 0.963077 1.887022 2.529052
H 2.079689 1.449392 3.839896
H 5.682507 2.220221 -0.948626
H 4.723052 0.776591 -1.291543
H 5.421114 1.008268 0.314267
H -4.358281 -3.554679 1.062959
H -2.878797 5.157239 0.202964
H 2.314269 -5.125014 -0.417383


%chk=000236257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236257

0 1
O -0.626462 0.012119 -2.030641
O 1.569678 1.408633 -1.562259
N 2.628323 1.368011 0.490447
C -0.832201 0.213945 -0.595826
C 0.550215 -0.024258 0.164087
C -1.856357 -0.840102 -0.130052
C -1.385069 1.643206 -0.352866
C 1.064549 -1.462137 0.029862
C 1.612800 0.972005 -0.351197
C -2.142414 -1.958288 -0.948513
C -1.129481 2.404647 0.814441
C -2.495944 -0.725805 1.129503
C -2.243255 2.193179 -1.340084
C 2.874071 0.814317 1.844040
C 3.641091 2.322086 -0.037271
C 1.745800 -1.900852 -1.134397
C 0.852050 -2.386522 1.084514
C -3.051042 -2.948358 -0.512037
C -1.705004 3.684616 0.988153
C -3.396343 -1.720416 1.570646
C -2.823364 3.467120 -1.168099
C 2.199638 -3.234316 -1.238653
C 1.304928 -3.719973 0.981770
C 2.394425 1.736274 2.985816
C 4.794659 1.609087 -0.773755
C -3.677657 -2.837939 0.750509
C -2.556148 4.222127 -0.001574
C 1.982125 -4.149244 -0.182626
H 0.355297 0.160107 1.234939
H 0.155767 0.615876 -2.250113
H -1.648652 -2.028433 -1.921037
H -0.475541 2.018596 1.604294
H -2.318392 0.154766 1.757534
H -2.435403 1.606630 -2.243600
H 2.409110 -0.181454 1.923012
H 3.965143 0.650292 1.936694
H 3.125929 3.008311 -0.729133
H 4.024303 2.909161 0.817692
H 1.917270 -1.200595 -1.958159
H 0.306374 -2.066083 1.981015
H -3.266268 -3.808348 -1.156751
H -1.487763 4.258818 1.896448
H -3.888543 -1.616203 2.544653
H -3.483077 3.872671 -1.943795
H 2.720655 -3.560527 -2.146065
H 1.123655 -4.421965 1.803434
H 2.864970 2.733706 2.922008
H 1.299729 1.877356 2.956707
H 2.658854 1.296103 3.964607
H 5.538401 2.348787 -1.121925
H 4.405104 1.069629 -1.653058
H 5.312802 0.886376 -0.117018
H -4.381876 -3.607055 1.088292
H -3.003408 5.213625 0.132004
H 2.334349 -5.183604 -0.266414


