%chk=000235464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235464

0 1
O -5.246594 -2.600483 -0.479999
O 4.165726 2.667036 0.459808
N 4.002148 -1.400604 0.086887
C -3.356122 0.368858 -0.369157
C -3.384788 -1.108263 0.133840
C -2.057730 1.046276 0.079483
C -0.885668 0.302299 -0.629539
C -2.266001 -1.874574 -0.580410
C -4.720890 0.941471 0.059436
C -0.907770 -1.207915 -0.296993
C -2.001523 2.535625 -0.285909
C -4.836375 -1.501884 -0.209375
C -5.693991 -0.239814 -0.137833
C 0.440424 0.955532 -0.301850
C -3.271372 -1.269326 1.656995
C -0.719785 3.160728 0.276390
C 0.505370 2.304290 0.094465
C 1.633310 0.227379 -0.455781
C 1.752485 2.898019 0.357993
C 2.884123 0.790306 -0.200964
C 2.914475 2.138697 0.212100
C 4.162425 0.015751 -0.386515
C 3.902030 -1.450431 1.585219
C 5.128186 -2.259004 -0.413311
C 3.318238 -2.793159 2.027735
C 4.949168 -2.545300 -1.905228
H -3.353754 0.351953 -1.491588
H -1.939669 0.945831 1.184725
H -1.027793 0.408310 -1.738050
H -2.458770 -1.912055 -1.669078
H -2.247120 -2.930651 -0.249057
H -5.009066 1.813207 -0.547933
H -4.707713 1.279980 1.108772
H -0.634468 -1.353967 0.766604
H -0.121740 -1.727245 -0.881171
H -2.885136 3.066659 0.112991
H -2.038627 2.665532 -1.384413
H -6.289941 -0.133883 -1.061686
H -6.428971 -0.319928 0.681022
H -2.285039 -0.948762 2.016767
H -4.019483 -0.678261 2.195344
H -3.397430 -2.319422 1.948930
H -0.847978 3.360861 1.362540
H -0.558511 4.153322 -0.192779
H 1.599336 -0.820461 -0.777341
H 1.808958 3.935236 0.669619
H 4.403440 -0.003831 -1.476445
H 5.007582 0.547085 0.110869
H 4.113544 3.609167 0.748186
H 4.875876 -1.269612 2.088307
H 3.220186 -0.632222 1.912511
H 6.127998 -1.811273 -0.226175
H 5.102299 -3.221882 0.145974
H 2.388242 -3.011100 1.485560
H 4.004201 -3.624792 1.831323
H 3.091682 -2.788186 3.098392
H 3.939241 -2.925305 -2.110826
H 5.081072 -1.644423 -2.515295
H 5.668354 -3.294291 -2.250788


%chk=000235464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235464

0 1
O -5.239189 -2.705855 -0.357600
O 4.253488 2.855462 0.349412
N 4.078684 -1.391748 0.089952
C -3.358010 0.341139 -0.322436
C -3.412627 -1.110589 0.246445
C -2.062881 1.067546 0.078363
C -0.854720 0.254033 -0.490061
C -2.245961 -1.933662 -0.336256
C -4.751791 0.934333 0.016747
C -0.887460 -1.238890 -0.041815
C -1.983378 2.521730 -0.431811
C -4.837770 -1.534373 -0.156845
C -5.708795 -0.259840 -0.269155
C 0.481760 0.961061 -0.209584
C -3.406303 -1.176141 1.808640
C -0.731877 3.219108 0.139552
C 0.530084 2.363193 0.043119
C 1.707336 0.247295 -0.256046
C 1.785736 2.988858 0.233649
C 2.964818 0.854868 -0.062117
C 2.985677 2.251266 0.179511
C 4.266140 0.062944 -0.144326
C 3.878130 -1.691565 1.536063
C 5.154671 -2.209574 -0.531000
C 3.147726 -3.025230 1.782276
C 4.996608 -2.351374 -2.057099
H -3.328571 0.233138 -1.433092
H -1.986319 1.095648 1.186831
H -0.995601 0.247534 -1.597471
H -2.381650 -2.028931 -1.432669
H -2.246379 -2.960802 0.074260
H -4.998374 1.818385 -0.596172
H -4.805819 1.244171 1.077368
H -0.647217 -1.301102 1.038084
H -0.093714 -1.802257 -0.566124
H -2.888556 3.087846 -0.139235
H -1.946373 2.516591 -1.540763
H -6.115602 -0.218691 -1.298364
H -6.578956 -0.327221 0.408547
H -2.450706 -0.816646 2.225499
H -4.216520 -0.576475 2.260843
H -3.544756 -2.225293 2.126490
H -0.916427 3.462613 1.207407
H -0.564446 4.188013 -0.370252
H 1.728254 -0.830267 -0.445714
H 1.818500 4.072278 0.421818
H 4.698215 0.198632 -1.154555
H 5.007591 0.509171 0.560727
H 4.152546 3.820929 0.539807
H 4.851545 -1.681348 2.089699
H 3.266975 -0.872605 1.957614
H 6.168672 -1.798191 -0.291333
H 5.113581 -3.217611 -0.080191
H 2.160230 -3.014056 1.287595
H 3.713730 -3.890534 1.392142
H 2.997267 -3.186888 2.866124
H 4.021878 -2.811195 -2.296221
H 5.046042 -1.374342 -2.571199
H 5.801161 -2.987387 -2.471782


