%chk=000290849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290849

0 1
O 3.971666 0.691360 -1.071878
O -3.984067 1.335105 0.024034
O -4.415952 -0.698186 -0.826161
N -1.936521 -0.506032 1.025410
C 2.223676 -0.124144 0.272915
C 3.479307 -0.407020 0.949114
C 2.577199 0.539504 -0.941629
C 4.505183 0.105103 0.096449
C 0.881410 -0.351020 0.551475
C -0.080123 0.083017 -0.381255
C 1.649113 0.978481 -1.876163
C 3.844324 -1.017545 2.144520
C 0.306266 0.735147 -1.571765
C -4.393764 0.006160 0.408627
C -3.361379 -0.741096 1.279573
C 5.859451 0.031587 0.387817
C -1.526499 -0.133471 -0.144877
C 5.207898 -1.102101 2.457754
C 6.192269 -0.589365 1.599083
C -3.826395 2.302521 1.081098
C -5.327261 -0.157051 -1.832479
C -5.157330 2.670322 1.716798
C -5.218303 -1.142028 -2.980273
H 0.571963 -0.851368 1.471691
H 1.952316 1.480986 -2.789727
H 3.088604 -1.418218 2.817068
H -5.402013 0.056167 0.863261
H -0.460690 1.063068 -2.275979
H -3.553149 -1.840014 1.182967
H -3.534551 -0.486831 2.352168
H 6.612380 0.431640 -0.284021
H -2.181781 0.058871 -1.018645
H 5.511149 -1.577073 3.389560
H 7.242501 -0.675012 1.878873
H -3.094720 1.924925 1.817167
H -3.383461 3.149668 0.519986
H -6.340899 -0.109441 -1.401711
H -4.976744 0.856630 -2.096090
H -5.076158 3.600150 2.292956
H -5.928478 2.826813 0.950914
H -5.523680 1.896886 2.399603
H -5.833409 -0.833769 -3.832260
H -4.178429 -1.232341 -3.324405
H -5.533119 -2.148684 -2.674563


%chk=000290849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290849

0 1
O 4.125885 0.422261 -1.167101
O -4.064175 1.470927 0.008237
O -4.407211 -0.605395 -1.009816
N -1.902716 -0.506938 0.927635
C 2.324589 -0.128958 0.240059
C 3.566673 -0.337340 0.985173
C 2.715259 0.330012 -1.056368
C 4.627763 0.007643 0.097721
C 0.955373 -0.279592 0.528111
C 0.003615 0.028790 -0.480190
C 1.805730 0.642623 -2.073656
C 3.886500 -0.774052 2.291064
C 0.437269 0.483311 -1.763165
C -4.377256 0.052724 0.269187
C -3.346616 -0.668402 1.171861
C 5.983514 -0.058649 0.439934
C -1.449680 -0.112357 -0.233673
C 5.247268 -0.850664 2.663815
C 6.280634 -0.498304 1.752188
C -3.904205 2.324545 1.200818
C -5.499817 -0.139234 -1.896695
C -5.193771 2.499965 2.022816
C -5.467042 -1.013443 -3.148328
H 0.588496 -0.626736 1.499000
H 2.142578 0.990499 -3.053461
H 3.098326 -1.048111 3.000100
H -5.385892 -0.007595 0.749078
H -0.317543 0.714870 -2.524106
H -3.583763 -1.750538 1.122264
H -3.530620 -0.364543 2.221222
H 6.766656 0.215109 -0.272097
H -2.114287 0.135836 -1.081050
H 5.514029 -1.187159 3.671335
H 7.326728 -0.567924 2.069341
H -3.078856 1.937068 1.833132
H -3.584240 3.293938 0.782192
H -6.467370 -0.240371 -1.356692
H -5.342017 0.928815 -2.134608
H -5.027648 3.251049 2.817640
H -6.019283 2.855187 1.380908
H -5.510842 1.562123 2.513903
H -6.265869 -0.708810 -3.848982
H -4.495737 -0.913720 -3.663026
H -5.612633 -2.076160 -2.888721


