%chk=000291149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291149

0 1
O -2.479973 -1.777751 0.352243
O -0.689627 0.612797 -0.870782
O 0.983578 -2.812672 0.512645
O -5.269520 1.220121 1.067456
O 1.556279 0.393530 -0.985666
O -5.981123 -0.758415 0.141902
O 1.406126 -2.886657 -1.703562
N -3.821812 0.073443 -0.225379
C -0.870793 -0.809125 -1.159132
C -1.054826 -1.540622 0.191026
C -2.231468 -0.887825 -1.855059
C -3.237445 -1.186451 -0.730300
C -0.433661 -2.942286 0.238028
C 0.601789 1.117537 -0.821289
C -5.108667 0.062217 0.329310
C 0.574393 2.567298 -0.549660
C 1.845344 -2.785022 -0.578291
C 3.242250 -2.649693 -0.130303
C -0.628118 3.290869 -0.501234
C 1.799194 3.225788 -0.340986
C -6.590548 1.441700 1.661850
C -0.606427 4.660204 -0.244472
C 1.818287 4.594639 -0.083880
C 0.616076 5.322690 -0.034441
C 4.228361 -2.389718 -1.099068
C 3.599268 -2.766225 1.222225
C 5.560685 -2.258807 -0.715364
C 4.934148 -2.636235 1.603248
C -6.777851 0.537399 2.860673
C 5.923434 -2.382012 0.638302
C 0.634924 6.786112 0.254894
C 7.355050 -2.240432 1.036054
H -0.010297 -1.176712 -1.764385
H -0.737637 -0.916380 1.053563
H -2.242257 -1.686005 -2.620243
H -2.463850 0.054317 -2.392720
H -4.033393 -1.931584 -0.964704
H -0.600012 -3.519548 -0.689519
H -0.804287 -3.513466 1.111462
H -3.155696 0.777562 0.110756
H -1.576625 2.773333 -0.667790
H 2.731192 2.654196 -0.383521
H -6.510488 2.512178 1.926438
H -7.356195 1.281391 0.882096
H -1.540898 5.217694 -0.206066
H 2.768308 5.100788 0.078933
H 3.937333 -2.289834 -2.148904
H 2.824782 -2.957997 1.969865
H 6.322789 -2.057548 -1.465898
H 5.207016 -2.729920 2.652475
H -5.934310 0.610257 3.559136
H -6.849282 -0.518300 2.552077
H -7.693442 0.781433 3.411128
H -0.177809 7.324607 -0.252645
H 1.575044 7.265645 -0.051108
H 0.516785 6.969997 1.334582
H 7.747168 -1.248124 0.766929
H 7.515396 -2.366823 2.114937
H 7.986538 -2.984652 0.528039


%chk=000291149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291149

0 1
O -2.401285 -1.961906 0.489393
O -0.903992 0.557527 -0.810573
O 1.187848 -2.958073 0.501334
O -5.167048 1.467782 0.642041
O 1.386939 0.473016 -0.383137
O -5.905677 -0.748822 0.292531
O 1.591670 -2.910057 -1.798816
N -3.722363 -0.042619 -0.241347
C -0.867391 -0.919772 -1.080954
C -0.951982 -1.699420 0.256545
C -2.191635 -1.254830 -1.781834
C -3.199843 -1.342427 -0.615602
C -0.267727 -3.079703 0.243350
C 0.331647 1.146600 -0.471668
C -5.005328 0.126911 0.241507
C 0.218512 2.611601 -0.244733
C 2.030712 -2.880331 -0.619738
C 3.461715 -2.790090 -0.234721
C -0.995525 3.326441 -0.417011
C 1.385371 3.312615 0.158084
C -6.499519 1.802652 1.220986
C -1.035378 4.715163 -0.185886
C 1.335058 4.700314 0.386996
C 0.124422 5.425995 0.224094
C 4.435279 -2.737511 -1.266815
C 3.879954 -2.759560 1.119455
C 5.802277 -2.660527 -0.945629
C 5.252729 -2.682231 1.430663
C -6.558429 1.442511 2.708276
C 6.236078 -2.632437 0.408386
C 0.064952 6.916016 0.502123
C 7.713713 -2.548766 0.744026
H 0.038660 -1.157067 -1.657647
H -0.553080 -1.100164 1.094443
H -2.100642 -2.240575 -2.269242
H -2.470648 -0.507056 -2.539264
H -4.052331 -2.018100 -0.778475
H -0.435291 -3.610982 -0.710146
H -0.656928 -3.672331 1.085152
H -3.068578 0.742825 -0.191983
H -1.895861 2.799329 -0.744531
H 2.317217 2.750664 0.280753
H -6.588913 2.888322 1.053292
H -7.276792 1.264914 0.649636
H -1.977346 5.258285 -0.326019
H 2.243299 5.231637 0.694714
H 4.097385 -2.757500 -2.308163
H 3.127738 -2.795086 1.911953
H 6.546997 -2.620980 -1.749816
H 5.568528 -2.659060 2.480282
H -5.743170 1.935571 3.265708
H -6.477729 0.351218 2.844941
H -7.522619 1.774767 3.136740
H -0.671044 7.421283 -0.147431
H 1.046635 7.397440 0.350990
H -0.237397 7.107839 1.550226
H 8.166025 -1.628596 0.328434
H 7.883080 -2.546106 1.834031
H 8.270250 -3.403653 0.315995


