%chk=000190392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190392

0 1
O 1.439204 -2.358563 -0.714385
O 3.938650 2.361566 -0.474657
N 5.453982 0.160011 -0.094640
C -2.507666 -0.490375 0.443394
C -1.015333 -0.077090 0.631057
C -3.401584 0.511879 -0.358453
C -0.953912 1.361490 1.241393
C -3.253502 1.917620 0.273060
C -1.789830 2.348326 0.403481
C -2.686782 -1.905859 -0.132514
C -0.248008 -0.116374 -0.726140
C -4.849871 0.014605 -0.262690
C -0.334868 -1.075522 1.589681
C -3.079081 0.577696 -1.863911
C -4.135977 -2.377547 0.059171
C -1.395199 1.404433 2.710906
C -5.147348 -1.284072 -0.105903
C 1.233048 0.011608 -0.611347
C -5.942847 1.029959 -0.405461
C 2.021078 -1.300200 -0.562984
C 1.878504 1.190088 -0.587261
C 3.334662 1.309302 -0.461304
C 3.451499 -1.197912 -0.347149
C 4.112378 -0.005989 -0.291583
C 6.386758 -0.981769 0.083896
C 7.810411 -0.475362 0.273648
H -2.935095 -0.501636 1.484600
H 0.111364 1.701305 1.209560
H -3.732419 1.924137 1.271108
H -3.800815 2.665138 -0.330513
H -1.338869 2.456116 -0.602196
H -1.741838 3.355563 0.859738
H -1.993497 -2.619350 0.351349
H -2.423525 -1.917867 -1.208340
H -0.657709 0.675391 -1.396343
H -0.488886 -1.084576 -1.229209
H -0.149376 -2.039719 1.092366
H 0.633152 -0.705405 1.940696
H -0.947475 -1.281993 2.472306
H -3.110051 -0.420579 -2.317452
H -3.802640 1.201019 -2.398605
H -2.081907 0.999946 -2.047391
H -4.254186 -2.819284 1.071466
H -4.356422 -3.198144 -0.653611
H -0.680930 0.891713 3.363125
H -1.475772 2.436889 3.067922
H -2.374041 0.931768 2.854602
H -6.180549 -1.627059 -0.073150
H -6.056252 1.618044 0.515347
H -6.917028 0.568523 -0.612851
H -5.741565 1.731183 -1.225622
H 1.348975 2.145465 -0.651800
H 3.963920 -2.152223 -0.249248
H 5.846401 1.103961 -0.093863
H 6.062951 -1.585317 0.966058
H 6.323641 -1.653215 -0.806463
H 8.168414 0.096561 -0.592683
H 7.909954 0.166180 1.159254
H 8.504706 -1.316087 0.409338


%chk=000190392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190392

0 1
O 1.477243 -2.464122 -0.637946
O 4.061260 2.342628 -0.331125
N 5.546738 0.113535 -0.108237
C -2.538809 -0.497971 0.387050
C -1.034852 -0.086569 0.639333
C -3.453429 0.526937 -0.396287
C -0.989379 1.363344 1.258593
C -3.311996 1.923668 0.287598
C -1.837639 2.364338 0.428419
C -2.742248 -1.928558 -0.171394
C -0.198532 -0.139794 -0.713532
C -4.915867 0.019513 -0.298733
C -0.399725 -1.097808 1.636102
C -3.140908 0.674855 -1.922488
C -4.188337 -2.400175 0.108051
C -1.405495 1.420447 2.753772
C -5.208267 -1.295335 -0.088832
C 1.299388 -0.045717 -0.566387
C -6.037177 1.030555 -0.489052
C 2.095943 -1.346312 -0.509458
C 1.974940 1.153519 -0.534684
C 3.428206 1.233962 -0.378329
C 3.534721 -1.283952 -0.333269
C 4.201473 -0.065668 -0.264265
C 6.519663 -0.975387 0.025187
C 7.940400 -0.421895 0.215759
H -2.977285 -0.512829 1.411300
H 0.067943 1.699534 1.222883
H -3.782266 1.887064 1.290531
H -3.868153 2.684672 -0.293496
H -1.394535 2.499993 -0.577820
H -1.797259 3.360199 0.912681
H -2.029067 -2.638523 0.282033
H -2.553420 -1.951674 -1.260993
H -0.534852 0.673894 -1.375609
H -0.426598 -1.105158 -1.198223
H -0.173954 -2.060883 1.149632
H 0.554300 -0.706132 2.038412
H -1.072291 -1.286986 2.491795
H -2.955605 -0.301065 -2.401991
H -4.005651 1.131372 -2.438240
H -2.272295 1.326260 -2.120243
H -4.263927 -2.776464 1.151743
H -4.443823 -3.264502 -0.538370
H -0.705233 0.859144 3.395278
H -1.403306 2.471408 3.099890
H -2.418826 1.016014 2.930572
H -6.266120 -1.596213 -0.041520
H -6.056108 1.782675 0.322670
H -7.019611 0.526963 -0.503871
H -5.933190 1.592755 -1.437861
H 1.452179 2.112333 -0.626518
H 4.061549 -2.241156 -0.280358
H 5.858126 1.093544 -0.095804
H 6.237615 -1.614788 0.887539
H 6.477366 -1.620989 -0.877072
H 8.248537 0.193790 -0.648802
H 8.008185 0.197363 1.128478
H 8.661257 -1.251255 0.314308


