%chk=000200178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200178

0 1
O 3.502628 0.663993 0.439672
O 3.547198 3.368624 -1.130280
O 0.674244 1.667817 -2.218427
O -1.742439 0.085373 -0.524523
O -4.025550 -0.019501 0.535215
N 2.012071 -2.487005 1.400980
C 0.982568 -3.106321 0.504826
C 2.767708 -3.528178 2.172063
C -0.014959 -3.922555 1.342289
C 1.791672 -4.347358 3.033194
C 0.704057 -4.996041 2.167998
C 2.944279 -1.601114 0.635740
C 3.062481 -0.294225 1.438464
C 3.569765 2.027428 0.923095
C 4.390746 2.769279 -0.135186
C 2.989750 2.442103 -2.097361
C 1.516541 2.833524 -2.244619
C 0.463386 1.100849 -0.898012
C -0.451664 -0.091953 -1.155972
C -2.663582 0.914109 -1.134185
C -3.959648 0.856840 -0.526541
C -2.437569 1.754144 -2.215321
C -4.994629 1.640802 -1.021561
C -3.495273 2.540225 -2.709587
C -4.752511 2.484209 -2.123082
C -5.296270 -0.126209 1.220999
H 0.434986 -2.271530 -0.006950
H 1.427051 -3.744913 -0.287384
H 3.353489 -4.207535 1.515968
H 3.492518 -3.001658 2.829848
H -0.569319 -3.239799 2.018743
H -0.769864 -4.381443 0.678428
H 2.348830 -5.115909 3.598155
H 1.319851 -3.683166 3.785291
H -0.020843 -5.533586 2.806784
H 1.149756 -5.757170 1.500443
H 2.557355 -1.360337 -0.379578
H 3.948260 -2.041885 0.467396
H 3.816829 -0.351656 2.238076
H 2.091939 0.023348 1.859297
H 2.541215 2.424498 0.994469
H 4.054254 2.054335 1.913102
H 4.900058 3.655363 0.290077
H 5.129433 2.096949 -0.609013
H 3.568249 2.599408 -3.022684
H 3.098423 1.391803 -1.764836
H 1.286444 3.250952 -3.242413
H 1.217141 3.556443 -1.463563
H -0.015930 1.852952 -0.246414
H 1.444615 0.804189 -0.476527
H -0.569231 -0.293671 -2.236680
H -0.103396 -1.013630 -0.625453
H -1.447570 1.821364 -2.676238
H -5.984350 1.613519 -0.577891
H -3.312616 3.195316 -3.558807
H -5.566745 3.093903 -2.508922
H -5.063382 -0.863245 2.000565
H -6.066188 -0.503514 0.542486
H -5.575063 0.834745 1.661947


%chk=000200178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200178

0 1
O 3.393895 -0.216862 0.847890
O 1.980306 2.462754 0.118952
O -0.795352 1.731186 -1.069956
O -3.489185 3.211374 -0.206510
O -5.712421 4.521960 -0.813367
N 3.583060 -3.917286 1.395192
C 2.965201 -5.048438 0.656590
C 4.968391 -4.244250 1.820863
C 2.917742 -6.316573 1.533354
C 4.989473 -5.485862 2.735578
C 4.332558 -6.694117 2.029534
C 3.494834 -2.627927 0.668821
C 3.411725 -1.449398 1.649570
C 3.290794 0.986963 1.679757
C 3.267567 2.219886 0.773730
C 1.717215 1.594633 -1.045859
C 0.453831 2.100537 -1.743057
C -1.096799 2.519860 0.134347
C -2.562838 2.314430 0.510025
C -4.183992 2.740215 -1.331406
C -5.381767 3.453271 -1.661240
C -3.772821 1.654850 -2.134434
C -6.144260 3.052773 -2.782136
C -4.550113 1.257500 -3.249602
C -5.732099 1.952128 -3.572629
C -6.921759 5.276817 -1.138471
H 1.940808 -4.753347 0.362521
H 3.531049 -5.278512 -0.285788
H 5.623763 -4.434219 0.928303
H 5.393259 -3.375084 2.356092
H 2.260236 -6.121022 2.402468
H 2.471881 -7.147927 0.953858
H 6.034911 -5.718667 3.016314
H 4.434936 -5.252258 3.664893
H 4.285109 -7.563779 2.711889
H 4.956776 -6.996456 1.162893
H 2.578238 -2.625679 0.050907
H 4.354796 -2.464183 -0.024799
H 4.284977 -1.436776 2.338468
H 2.488888 -1.532464 2.261440
H 2.366414 0.955411 2.297651
H 4.167543 1.048373 2.366164
H 3.441856 3.120876 1.389215
H 4.081360 2.134707 0.021075
H 2.577794 1.653119 -1.750605
H 1.602489 0.541485 -0.727479
H 0.379897 1.630926 -2.740494
H 0.514860 3.202878 -1.866602
H -0.902737 3.597105 -0.047724
H -0.443978 2.192894 0.969059
H -2.853520 1.254450 0.374282
H -2.697458 2.591772 1.571104
H -2.819396 1.164353 -1.915341
H -7.063342 3.586479 -3.043323
H -4.216447 0.415396 -3.865617
H -6.335136 1.651718 -4.436419
H -6.986306 6.057116 -0.365619
H -7.825478 4.636390 -1.097686
H -6.850028 5.747801 -2.139038


