%chk=000258994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258994

0 1
O 0.822847 -0.156497 -0.078312
O -6.891771 0.325488 -0.203341
O -0.557153 1.669202 -0.127963
N -1.379091 -0.543537 -0.106494
C 5.689617 -0.377030 -0.005939
C 7.015132 0.396282 0.002784
C 4.487054 0.575797 -0.036296
C 8.218114 -0.555787 0.032975
C 3.165686 -0.200976 -0.044623
C 9.545339 0.215854 0.041644
C 1.979288 0.754705 -0.074490
C 10.746325 -0.726786 0.071798
C -0.416627 0.464506 -0.107101
C -2.795879 -0.316856 -0.131251
C -3.632435 -1.444667 -0.124575
C -3.344872 0.984574 -0.161492
C -5.554489 0.006992 -0.177987
C -5.021945 -1.286188 -0.148060
C -4.720439 1.148168 -0.184835
C -7.861775 -0.770720 -0.199369
C -9.194166 -0.048160 -0.231710
H 5.655833 -1.055485 -0.880496
H 5.630250 -1.031551 0.885331
H 7.050458 1.074399 0.877342
H 7.075951 1.050610 -0.888343
H 4.548721 1.229359 -0.928778
H 4.523321 1.253650 0.839298
H 8.160112 -1.210711 0.923551
H 8.185513 -1.234562 -0.840881
H 3.093227 -0.859777 0.844607
H 3.118371 -0.883639 -0.917392
H 9.606388 0.869998 -0.850136
H 9.580885 0.894023 0.916701
H 1.926108 1.371756 -0.987298
H 1.900401 1.396304 0.819321
H 10.763041 -1.387864 -0.802137
H 10.737754 -1.363587 0.963693
H 11.688550 -0.167403 0.077598
H -1.055665 -1.513636 -0.086483
H -3.214834 -2.449755 -0.101219
H -2.686293 1.862384 -0.166423
H -5.657870 -2.165174 -0.142632
H -5.173738 2.138509 -0.208377
H -7.689988 -1.392145 -1.094694
H -7.717348 -1.361267 0.721348
H -10.032688 -0.753038 -0.231782
H -9.306611 0.618137 0.635480
H -9.280608 0.587400 -1.124562


%chk=000258994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258994

0 1
O 0.783465 -0.193123 -0.018155
O -7.061968 0.387887 -0.246563
O -0.545910 1.753850 -0.114225
N -1.459534 -0.437855 -0.060720
C 5.778137 -0.405001 0.006628
C 7.115909 0.368558 0.008939
C 4.539641 0.519162 -0.000095
C 8.354921 -0.555000 0.011965
C 3.207831 -0.267683 -0.002283
C 9.694044 0.217503 0.014182
C 1.997913 0.666756 -0.017376
C 10.926169 -0.713084 0.016030
C -0.444086 0.501436 -0.069235
C -2.864323 -0.207263 -0.106611
C -3.719638 -1.335789 -0.084608
C -3.433614 1.094479 -0.174354
C -5.684500 0.112044 -0.197092
C -5.122122 -1.186726 -0.129461
C -4.830429 1.242297 -0.218762
C -7.989500 -0.758642 -0.226166
C -9.402699 -0.185240 -0.290076
H 5.742190 -1.072083 -0.879809
H 5.736397 -1.067659 0.896143
H 7.153164 1.034486 0.896477
H 7.156758 1.033169 -0.879443
H 4.582417 1.180596 -0.890362
H 4.576479 1.186326 0.886110
H 8.316056 -1.220120 0.900146
H 8.319534 -1.220980 -0.875708
H 3.154511 -0.918319 0.891986
H 3.165237 -0.931329 -0.887511
H 9.731829 0.882329 -0.872975
H 9.729000 0.882238 0.901519
H 1.979020 1.308496 -0.917970
H 1.967553 1.322246 0.873109
H 10.929992 -1.366564 -0.876853
H 10.927112 -1.366935 0.908652
H 11.870149 -0.137624 0.017678
H -1.143912 -1.409185 -0.019524
H -3.291952 -2.345151 -0.032111
H -2.779340 1.968483 -0.191421
H -5.751765 -2.080612 -0.111045
H -5.282863 2.237349 -0.271255
H -7.782988 -1.417395 -1.095513
H -7.834362 -1.343771 0.704379
H -10.146516 -1.002711 -0.278028
H -9.593355 0.475227 0.572826
H -9.542052 0.402225 -1.213457


