%chk=000223283.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223283

0 1
O -0.546463 0.783960 -1.585993
O 3.544697 0.251224 0.763326
O 2.841648 -2.565653 1.231787
N 0.815859 2.880210 -0.667478
N -2.473687 -1.574660 -0.079563
C 0.234848 3.125592 0.696396
C 1.180661 4.169142 -1.344574
C -3.838469 -1.622526 -0.705124
C -2.350024 -2.580155 1.025788
C -1.035335 3.979992 0.569283
C -0.076806 5.040209 -1.502124
C -0.742093 5.304785 -0.145475
C -4.914924 -1.335966 0.354978
C -3.411430 -2.312889 2.106579
C -4.825692 -2.335339 1.514596
C 1.993477 1.947652 -0.597179
C -1.427419 -1.793011 -1.138561
C 1.534521 0.530836 -0.369067
C -0.082660 -1.322738 -0.649322
C 0.310571 0.031392 -0.859745
C 2.391116 -0.356342 0.324748
C 0.790209 -2.171620 0.016527
C 2.024539 -1.703568 0.497245
C 4.426910 -0.497514 1.639234
C 3.474271 -3.591612 0.421738
H 0.960763 3.612733 1.380902
H -0.017091 2.135461 1.141522
H 1.597851 3.929202 -2.346524
H 1.964171 4.728898 -0.790132
H -3.874647 -0.832700 -1.487747
H -4.050075 -2.591935 -1.204507
H -2.430875 -3.627921 0.666654
H -1.338872 -2.460605 1.474704
H -1.458282 4.166087 1.573553
H -1.808590 3.413107 0.011416
H -0.796443 4.534805 -2.176969
H 0.192099 5.993221 -1.993251
H -0.087383 5.938480 0.482277
H -1.678446 5.875906 -0.286731
H -4.779333 -0.305590 0.741525
H -5.915186 -1.368680 -0.111679
H -3.315426 -3.060126 2.914022
H -3.217936 -1.323244 2.567770
H -5.569755 -2.085666 2.292617
H -5.076347 -3.353175 1.162116
H 2.543907 1.986775 -1.566209
H 2.726188 2.241621 0.191944
H -1.710512 -1.182647 -2.032397
H -1.365833 -2.848918 -1.480439
H 0.528949 -3.216129 0.187824
H -0.293060 1.807448 -1.539792
H 4.942417 -1.268927 1.061268
H 5.112898 0.281809 1.987252
H 3.862639 -0.946263 2.465173
H 4.089940 -4.121500 1.155994
H 2.717465 -4.253570 -0.006644
H 4.084580 -3.135555 -0.361631


%chk=000223283-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223283

0 1
O -0.578187 0.739185 -1.562084
O 3.723518 -0.085451 0.561531
O 2.964566 -2.875127 0.932349
N 0.808471 2.702259 -0.700872
N -2.541154 -1.613983 -0.122816
C 0.338105 2.912321 0.705839
C 1.074435 3.998186 -1.393554
C -3.896888 -1.562821 -0.721584
C -2.487388 -2.508635 1.055887
C -0.947132 3.760707 0.730696
C -0.188234 4.882313 -1.412114
C -0.726908 5.114632 0.018441
C -4.940531 -1.086389 0.309678
C -3.491500 -2.065318 2.139785
C -4.923617 -1.991587 1.562659
C 1.986874 1.765537 -0.765983
C -1.494574 -1.934804 -1.135296
C 1.567532 0.331027 -0.478738
C -0.109827 -1.486069 -0.707304
C 0.288338 -0.135388 -0.920203
C 2.448643 -0.571369 0.163928
C 0.814600 -2.369786 -0.109590
C 2.084841 -1.936255 0.321828
C 4.012664 -0.221333 2.008804
C 4.134308 -3.219639 0.094797
H 1.139795 3.414182 1.297855
H 0.156556 1.918960 1.152725
H 1.402339 3.771375 -2.424888
H 1.908076 4.538972 -0.885060
H -3.865923 -0.867000 -1.580538
H -4.210453 -2.569096 -1.114737
H -2.710946 -3.572718 0.763042
H -1.459883 -2.490791 1.461653
H -1.257484 3.915902 1.781209
H -1.757395 3.196618 0.229233
H -0.965839 4.385658 -2.024856
H 0.052273 5.844970 -1.901930
H 0.004732 5.719082 0.593836
H -1.668808 5.693295 -0.014928
H -4.698140 -0.046348 0.602694
H -5.944842 -1.081260 -0.157136
H -3.447548 -2.770565 2.992597
H -3.192027 -1.066582 2.512898
H -5.632997 -1.615570 2.324690
H -5.259183 -3.012266 1.282791
H 2.386969 1.834729 -1.797963
H 2.799364 2.075396 -0.078032
H -1.766247 -1.397537 -2.061109
H -1.478545 -3.031332 -1.366239
H 0.557233 -3.426309 0.028834
H -0.184221 1.716190 -1.366885
H 3.936469 -1.276454 2.323856
H 5.040208 0.152789 2.138334
H 3.307940 0.396878 2.598175
H 4.718042 -3.946793 0.681130
H 3.804228 -3.681293 -0.855895
H 4.743400 -2.321490 -0.119536


