%chk=000282896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282896

0 1
O -4.667026 -1.843262 -0.655896
O 5.582887 0.473684 -1.431970
N 4.834122 -1.320383 -0.317524
C -0.354108 1.063636 0.266636
C 0.384114 -0.176434 -0.287167
C -1.621542 1.422177 -0.547002
C -2.501539 0.201976 -1.014541
C 1.695969 -0.498114 0.510611
C -0.605309 -1.355316 -0.283578
C -1.718344 -1.089345 -1.293602
C 0.593430 2.278591 0.297971
C -2.592467 2.234676 0.364581
C 2.562047 0.760295 0.516266
C -3.528892 0.080861 0.121130
C 1.859204 1.967839 1.103037
C 2.386785 -1.699422 -0.179011
C -3.276951 0.578986 -2.293027
C -3.588551 1.211726 0.843647
C 1.389998 -0.878626 1.973922
C 3.764731 -2.029951 0.410726
C 3.811918 0.935666 0.065778
C -4.373611 -1.124858 0.277741
C 4.763709 0.043841 -0.625816
C -4.853798 -1.427661 1.672429
H -0.666784 0.826599 1.315273
H 0.688714 0.036480 -1.341867
H -1.326281 2.015174 -1.437224
H -1.033243 -1.500522 0.726524
H -0.092388 -2.303814 -0.535076
H -1.284525 -1.043350 -2.313297
H -2.424428 -1.946980 -1.324822
H 0.080029 3.156715 0.731732
H 0.873923 2.571842 -0.733533
H -3.099348 3.032149 -0.210228
H -2.076292 2.740261 1.197087
H 1.610639 1.779726 2.167277
H 2.520856 2.857714 1.114289
H 2.476820 -1.505029 -1.267573
H 1.728141 -2.588695 -0.102678
H -2.610654 0.726415 -3.147383
H -3.985996 -0.220617 -2.556580
H -3.861426 1.494672 -2.163500
H -4.244947 1.433342 1.669633
H 2.308544 -0.941004 2.569543
H 0.730890 -0.146799 2.455287
H 0.891349 -1.851534 2.038114
H 3.812376 -1.749117 1.489773
H 3.957386 -3.123356 0.359633
H 4.266451 1.937954 0.147306
H 5.485332 -1.886878 -0.859473
H -4.037208 -1.406346 2.403497
H -5.319352 -2.423592 1.719459
H -5.611557 -0.704690 1.999964


%chk=000282896-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282896

0 1
O -4.436204 -2.105972 -0.389961
O 5.833031 0.705524 -1.218660
N 4.893891 -1.249625 -0.424639
C -0.357753 1.028760 0.233170
C 0.411633 -0.218475 -0.293262
C -1.633637 1.389355 -0.598647
C -2.527697 0.164925 -1.034063
C 1.734967 -0.542477 0.537690
C -0.575654 -1.408595 -0.396542
C -1.696442 -1.087924 -1.403022
C 0.581363 2.255267 0.302444
C -2.594965 2.238527 0.299028
C 2.586985 0.741844 0.577370
C -3.464052 0.016546 0.189479
C 1.848970 1.956107 1.137958
C 2.451653 -1.739355 -0.157162
C -3.410175 0.548325 -2.261778
C -3.511629 1.189424 0.894859
C 1.383616 -0.972704 1.998459
C 3.894158 -2.026191 0.317228
C 3.858986 0.959398 0.110761
C -4.333927 -1.160139 0.453247
C 4.903447 0.126848 -0.558378
C -5.127159 -1.210578 1.760296
H -0.699546 0.792041 1.264922
H 0.759150 0.015902 -1.326140
H -1.314801 1.949543 -1.499830
H -1.014633 -1.625051 0.598424
H -0.060949 -2.328151 -0.728114
H -1.235319 -0.912869 -2.397497
H -2.381239 -1.947136 -1.509122
H 0.055239 3.130552 0.730794
H 0.886948 2.535767 -0.726787
H -3.187073 2.967205 -0.294292
H -2.062753 2.828185 1.068617
H 1.549735 1.777459 2.190248
H 2.516296 2.836234 1.140884
H 2.477108 -1.581970 -1.253267
H 1.845469 -2.645909 0.023980
H -2.774077 0.745662 -3.145113
H -4.096133 -0.281011 -2.509582
H -4.017651 1.450789 -2.064542
H -4.164792 1.387307 1.751977
H 2.301198 -1.144863 2.589806
H 0.786586 -0.217158 2.535192
H 0.804262 -1.913140 1.989630
H 3.986981 -1.839769 1.406643
H 4.129775 -3.093130 0.155223
H 4.232153 1.990958 0.177491
H 5.664297 -1.732583 -0.892374
H -4.469743 -1.072456 2.637467
H -5.636195 -2.184189 1.830716
H -5.889903 -0.409731 1.785265


