%chk=000199106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199106

0 1
O 2.960825 2.190401 0.583375
O 2.565393 -1.028824 0.819558
O 2.207457 -0.161101 -1.232202
N -0.804523 -2.546045 0.479391
C -1.622019 2.160615 -0.145780
C -0.181762 1.928868 -0.620058
C -2.599852 1.199557 -0.832716
C 0.781371 2.949308 -0.004191
C 3.742757 1.018374 0.315524
C -4.021592 1.340349 -0.274284
C 2.215918 2.794489 -0.511825
C -4.909622 0.162157 -0.698821
C 0.187688 -1.507031 0.893056
C 4.362204 0.709304 1.672309
C 4.774528 1.246196 -0.783467
C 2.761689 -0.093441 -0.157068
C 1.575392 -2.077617 0.568916
C -1.313310 -2.268600 -0.903600
C -1.879608 -2.742349 1.493691
C -6.349302 0.334367 -0.222634
C -2.126500 -3.444630 -1.440062
C -2.839887 -1.571621 1.709565
H -0.132012 1.977752 -1.725143
H 0.142807 0.892588 -0.356796
H -1.925158 3.206539 -0.346017
H -1.677685 2.037861 0.953263
H -2.244803 0.147592 -0.711028
H -2.604992 1.381857 -1.924419
H 0.425372 3.977860 -0.205649
H 0.787896 2.846920 1.103205
H -3.995107 1.403140 0.830906
H -4.466423 2.294488 -0.615435
H 2.712677 3.768124 -0.666652
H 2.285579 2.189683 -1.432008
H -4.889297 0.048501 -1.799760
H -4.487844 -0.783827 -0.284103
H 0.056587 -0.520321 0.374428
H 0.118476 -1.283396 1.977999
H 4.896219 -0.247711 1.665477
H 3.583109 0.643882 2.447778
H 5.056537 1.501112 1.978237
H 5.309066 2.190401 -0.614948
H 5.521515 0.444363 -0.813913
H 4.317402 1.300639 -1.781296
H 1.896021 -2.865761 1.270217
H 1.663778 -2.425597 -0.474737
H -1.917695 -1.325146 -0.953462
H -0.424553 -2.108066 -1.557825
H -2.452356 -3.648167 1.190933
H -1.382022 -3.004822 2.454759
H -6.407447 0.418840 0.868446
H -6.970112 -0.518279 -0.519765
H -6.808421 1.235913 -0.644601
H -1.597033 -4.394210 -1.282809
H -3.102433 -3.529893 -0.950326
H -2.301411 -3.337540 -2.516108
H -2.309724 -0.633311 1.905602
H -3.484469 -1.398754 0.830158
H -3.502190 -1.757976 2.561214


%chk=000199106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199106

0 1
O 2.410654 2.026300 0.313260
O 2.450877 -1.005044 1.242770
O 2.926237 -0.764833 -1.024482
N -0.441400 -3.226271 0.235465
C -1.856253 2.717095 -0.481567
C -0.469044 2.042107 -0.553221
C -2.965039 1.761340 0.013844
C 0.649564 2.989670 -1.038103
C 3.540560 1.070019 0.533935
C -4.362730 2.415237 0.089379
C 2.029802 2.321727 -1.088353
C -5.459596 1.451545 0.597833
C 0.234682 -1.976192 0.646639
C 3.855817 1.210891 2.028330
C 4.762782 1.396426 -0.345888
C 2.974783 -0.321709 0.151787
C 1.718280 -2.275499 0.944853
C -0.325572 -3.495945 -1.221203
C -1.788561 -3.427227 0.823983
C -6.857821 2.103572 0.658137
C -0.580923 -4.969141 -1.588449
C -2.907102 -2.473212 0.321259
H -0.523836 1.165348 -1.233874
H -0.191905 1.651786 0.445305
H -2.131267 3.110402 -1.483136
H -1.801641 3.596460 0.193895
H -2.688090 1.374066 1.017484
H -3.012920 0.878252 -0.658438
H 0.411643 3.365910 -2.054639
H 0.706994 3.873860 -0.372800
H -4.318821 3.302637 0.755181
H -4.646376 2.794415 -0.914883
H 2.780135 3.003569 -1.538149
H 1.993386 1.388067 -1.685938
H -5.494094 0.559632 -0.061605
H -5.178767 1.081202 1.605233
H 0.172424 -1.175527 -0.125425
H -0.241938 -1.579577 1.561464
H 4.620853 0.478972 2.340170
H 2.949317 1.045905 2.629870
H 4.231964 2.230403 2.220763
H 5.059249 2.448054 -0.187220
H 5.613474 0.749336 -0.066033
H 4.552253 1.229558 -1.414622
H 1.827062 -2.881601 1.856259
H 2.201127 -2.775734 0.088085
H -1.003429 -2.838229 -1.820632
H 0.703445 -3.226713 -1.524440
H -2.092182 -4.474763 0.640774
H -1.687856 -3.323979 1.921474
H -6.857704 2.980412 1.333108
H -7.621723 1.394013 1.026402
H -7.175311 2.452619 -0.342739
H 0.081514 -5.629107 -1.000826
H -1.626528 -5.271756 -1.397075
H -0.379489 -5.133222 -2.663014
H -2.645830 -1.414534 0.502915
H -3.093711 -2.599040 -0.760910
H -3.854321 -2.683949 0.852303


