%chk=000191388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191388

0 1
O 1.240107 -0.605704 1.495698
O 2.251947 -1.508012 -1.623480
O -4.884478 -1.424967 -0.231674
N 4.651028 0.116835 -1.674322
N -4.006829 0.685563 0.033348
C 2.661115 -0.716251 -0.493125
C 4.200424 -0.603631 -0.448735
C 4.605336 1.608771 -1.560955
C 2.085987 -1.479211 0.710833
C -0.826376 0.375008 1.993181
C -0.052032 -0.357273 1.058590
C -2.152083 0.679594 1.654531
C -2.664641 0.288917 0.388983
C -1.875598 -0.442295 -0.523770
C -0.554921 -0.762037 -0.174788
C 4.830669 2.184071 -2.965467
C 5.634683 2.176657 -0.570030
C -0.219041 0.786655 3.295012
C -3.028063 1.424714 2.612703
C -2.412526 -0.887842 -1.840966
C -5.048519 -0.219331 -0.209934
C -6.380126 0.438648 -0.474303
H 2.184456 0.287857 -0.588999
H 4.643184 -1.624121 -0.451918
H 4.514827 -0.117397 0.499714
H 3.575588 1.889981 -1.213298
H 2.842704 -1.765670 1.462999
H 1.529066 -2.379487 0.383844
H 5.593785 -0.192728 -1.929859
H 0.066502 -1.319345 -0.881045
H 4.677499 3.268121 -2.974941
H 5.842166 1.990154 -3.337222
H 4.130401 1.742447 -3.686865
H 5.476500 1.793654 0.443605
H 5.565319 3.268946 -0.515618
H 6.662455 1.936157 -0.859823
H 0.835345 0.476077 3.369465
H -0.745943 0.328775 4.143483
H -0.244587 1.876529 3.422401
H -4.062008 1.051720 2.598235
H -2.687535 1.327385 3.653290
H -3.046156 2.497256 2.378210
H -2.893256 -0.068052 -2.389556
H -1.642547 -1.318568 -2.492523
H -3.185150 -1.668303 -1.685261
H -4.191874 1.682526 0.099603
H 2.734161 -1.205228 -2.430871
H -6.752988 0.990842 0.396197
H -7.131103 -0.333900 -0.709144
H -6.348670 1.124494 -1.329236


%chk=000191388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191388

0 1
O 1.103828 -0.093142 1.655509
O 2.092512 -0.133518 -1.542820
O -4.832307 -1.713228 -0.570532
N 4.707408 0.007764 -1.775515
N -4.348033 0.438369 0.225301
C 2.764623 0.001734 -0.251436
C 4.239057 -0.475721 -0.453991
C 5.218777 1.410242 -1.852754
C 2.064467 -0.839764 0.830538
C -1.167271 0.414038 2.248584
C -0.245819 0.013219 1.238933
C -2.538236 0.526111 1.892546
C -2.953187 0.262058 0.552035
C -2.018123 -0.106054 -0.452272
C -0.658184 -0.233314 -0.087241
C 5.312247 1.823877 -3.335371
C 6.575667 1.606665 -1.128632
C -0.678173 0.688563 3.661331
C -3.577743 0.916323 2.932278
C -2.429852 -0.332253 -1.892341
C -5.200065 -0.532343 -0.301014
C -6.631043 -0.052882 -0.557644
H 2.755109 1.063420 0.079023
H 4.257163 -1.582311 -0.476593
H 4.864909 -0.142069 0.401034
H 4.458095 2.046620 -1.359611
H 2.811545 -1.184397 1.569808
H 1.584214 -1.718004 0.357053
H 5.347326 -0.649642 -2.239901
H 0.083147 -0.459307 -0.860403
H 5.653505 2.870151 -3.429979
H 6.036912 1.184347 -3.876569
H 4.330840 1.728110 -3.831350
H 6.526699 1.286391 -0.072033
H 6.877106 2.670211 -1.142661
H 7.370546 1.021953 -1.630640
H 0.417220 0.602743 3.707952
H -1.105572 -0.031264 4.386372
H -0.961998 1.702357 4.001035
H -4.508763 0.338046 2.794895
H -3.215583 0.738030 3.956889
H -3.843080 1.992370 2.869325
H -3.130776 0.450214 -2.239384
H -1.548582 -0.331839 -2.555236
H -2.957377 -1.298354 -1.995148
H -4.776397 1.327670 0.492656
H 2.866419 -0.061704 -2.198116
H -6.861854 0.928367 -0.105744
H -7.333524 -0.806251 -0.164633
H -6.799593 0.016398 -1.647335


