%chk=000218378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218378

0 1
O -2.365138 -1.040706 1.199522
O -0.025148 1.105615 -2.516811
O 6.066866 -1.722901 0.880059
O 8.676463 0.473371 0.030592
N -4.100367 1.263096 -0.808551
N -4.058651 0.074436 0.005267
N -0.470504 0.777504 -0.283514
N 5.958320 0.296767 -0.265523
N 8.813685 -1.522129 1.141141
C -2.719430 1.572704 -1.125647
C -1.879727 0.772857 -0.386971
C -2.686325 -0.188933 0.406986
C -5.193007 -0.209065 0.851503
C -5.015591 1.108997 -1.978125
C -2.385986 2.669385 -2.046922
C -5.252752 -1.491110 1.432425
C -6.218255 0.726349 1.071141
C 0.382669 0.858628 -1.394215
C 1.829772 0.686292 -1.056283
C -6.355463 -1.831021 2.215454
C -7.316762 0.360610 1.852991
C -7.392258 -0.913593 2.422242
C 2.737968 1.669377 -1.479730
C 2.290515 -0.451638 -0.381589
C 4.552739 0.388585 -0.518092
C 4.096564 1.532456 -1.209357
C 3.649019 -0.606386 -0.107367
C 6.599122 -0.740525 0.404696
C 8.138142 -0.515575 0.496452
H -4.661402 0.382980 -2.728784
H -5.133457 2.095510 -2.456751
H -6.011889 0.777072 -1.633992
H -1.699333 2.301611 -2.846701
H -1.827917 3.465630 -1.524856
H -3.251650 3.135982 -2.531395
H -0.108353 0.512015 0.635819
H -4.434786 -2.200773 1.285070
H -6.154386 1.731061 0.656335
H -6.406364 -2.820707 2.669508
H -8.116315 1.080677 2.024205
H -8.250553 -1.190164 3.030240
H 2.374045 2.541238 -2.029396
H 1.590489 -1.232918 -0.074546
H 4.792826 2.302165 -1.538145
H 4.003809 -1.499261 0.420724
H 6.543993 1.073058 -0.617822
H 8.338728 -2.332082 1.519713
H 9.815733 -1.474141 1.254999


%chk=000218378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218378

0 1
O -2.120987 -0.917868 1.044616
O 0.246295 2.432396 -1.983651
O 6.006737 -1.972655 0.956827
O 8.683314 0.221504 -0.038839
N -4.153261 1.205802 -0.965928
N -4.011216 0.150818 -0.005782
N -0.522131 0.721590 -0.585770
N 5.989870 0.132167 -0.149880
N 8.738840 -1.859013 1.059728
C -2.846688 1.554541 -1.416877
C -1.921003 0.805622 -0.697659
C -2.634738 -0.106468 0.207307
C -5.085065 -0.198198 0.869809
C -5.242346 1.016831 -1.957720
C -2.716982 2.563117 -2.520787
C -5.102956 -1.491324 1.451155
C -6.105762 0.739390 1.172630
C 0.481418 1.455018 -1.199266
C 1.890388 1.037675 -0.874924
C -6.151991 -1.839441 2.327615
C -7.157966 0.368229 2.036376
C -7.188410 -0.920977 2.616687
C 2.928930 1.914307 -1.286295
C 2.246037 -0.169964 -0.216308
C 4.617225 0.396340 -0.371713
C 4.274029 1.604419 -1.038405
C 3.591203 -0.497147 0.038607
C 6.576935 -0.953853 0.455558
C 8.117905 -0.799144 0.465203
H -5.038849 0.161249 -2.631766
H -5.331534 1.939031 -2.551016
H -6.193893 0.844144 -1.432983
H -1.663420 2.872130 -2.595227
H -3.348414 3.448513 -2.321833
H -3.021446 2.140374 -3.498298
H -0.262977 0.014139 0.116448
H -4.294730 -2.192734 1.231327
H -6.049668 1.753277 0.763157
H -6.160575 -2.836332 2.781508
H -7.944440 1.094622 2.269038
H -8.003457 -1.203067 3.291550
H 2.645885 2.834204 -1.807012
H 1.485528 -0.896912 0.092411
H 5.063760 2.293987 -1.360624
H 3.857635 -1.429010 0.541333
H 6.683415 0.824973 -0.473994
H 8.155224 -2.616110 1.424630
H 9.754030 -1.887788 1.135036


