%chk=000289362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289362

0 1
O 0.717569 1.973903 -0.458178
O -2.138502 2.693683 1.052735
O -5.456741 -2.591693 0.518942
O -5.343846 1.430685 3.010969
O -3.802585 2.923328 2.741895
O -3.993293 -3.094404 -1.098254
N -4.340521 1.866364 2.466685
C 5.361735 -1.332309 -0.647806
C 6.582576 -0.652429 0.035093
C 4.132801 -0.424643 -0.589766
C 5.018213 -2.625943 0.123463
C 5.744068 -1.707409 -2.091372
C 6.960426 0.691185 -0.580155
C 3.286259 -0.243936 -1.698055
C 3.808631 0.223158 0.612418
C 2.155494 0.565546 -1.619696
C 2.680971 1.043045 0.724850
C 1.867831 1.201947 -0.399949
C 0.301525 2.676642 0.747400
C -1.023224 3.306902 0.337803
C -2.601615 1.476210 0.682495
C -3.747395 1.044488 1.406681
C -2.044254 0.657854 -0.322365
C -4.327375 -0.199095 1.098271
C -3.775380 -0.997117 0.095948
C -2.626070 -0.563122 -0.610845
C -4.354593 -2.302025 -0.257388
H 7.449475 -1.339926 -0.014791
H 6.376689 -0.518894 1.115133
H 4.147540 -3.126604 -0.314692
H 5.849250 -3.337790 0.103280
H 4.779769 -2.425581 1.172560
H 4.963260 -2.298294 -2.581192
H 6.659679 -2.308995 -2.111380
H 5.930008 -0.816765 -2.701724
H 6.114573 1.390020 -0.575984
H 7.780520 1.161703 -0.026647
H 7.286578 0.583725 -1.620967
H 3.502661 -0.742201 -2.644318
H 4.448672 0.092107 1.487355
H 1.502724 0.713133 -2.475785
H 2.462376 1.530624 1.667928
H 1.071638 3.428687 0.996083
H 0.183928 1.957778 1.579780
H -1.132105 4.352089 0.697782
H -1.191727 3.259873 -0.755263
H -1.139470 0.976683 -0.855127
H -5.219134 -0.533388 1.655449
H -2.205025 -1.213528 -1.388499
H -5.858783 -3.473473 0.288000


%chk=000289362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289362

0 1
O 0.633977 1.603861 -0.024182
O -2.001798 2.232074 1.577060
O -6.216770 -2.105582 -0.512853
O -5.497848 0.967967 3.163880
O -3.316628 1.302701 3.742728
O -4.899557 -2.014404 -2.426412
N -4.233586 1.016473 2.885273
C 5.694884 -1.247725 -0.389424
C 6.884842 -0.243106 -0.581255
C 4.354555 -0.480445 -0.299662
C 5.923798 -2.021881 0.945608
C 5.702365 -2.283378 -1.543704
C 6.834056 0.613350 -1.864660
C 3.262029 -0.729874 -1.172885
C 4.166521 0.513533 0.695894
C 2.044090 -0.029902 -1.058681
C 2.957025 1.230045 0.828730
C 1.888663 0.952410 -0.056795
C 0.412845 2.598973 1.029341
C -1.016621 3.115109 0.909959
C -2.695359 1.268180 0.869647
C -3.838805 0.678807 1.498906
C -2.370092 0.855438 -0.451637
C -4.647324 -0.248697 0.817092
C -4.316732 -0.640802 -0.497709
C -3.166896 -0.085266 -1.119370
C -5.127152 -1.626273 -1.254303
H 7.826394 -0.829376 -0.564103
H 6.926004 0.430061 0.298298
H 5.104765 -2.740822 1.129687
H 6.876361 -2.583546 0.904929
H 5.972236 -1.335961 1.810758
H 4.936313 -3.065693 -1.388884
H 6.686888 -2.784966 -1.584449
H 5.522957 -1.818430 -2.529325
H 5.894156 1.191853 -1.920801
H 7.675309 1.330391 -1.885535
H 6.906454 -0.007196 -2.776080
H 3.350063 -1.485302 -1.958946
H 4.979211 0.744337 1.394565
H 1.208841 -0.236583 -1.735433
H 2.866452 1.984385 1.616365
H 1.116077 3.448904 0.898672
H 0.567782 2.154622 2.032421
H -1.106605 4.056662 1.476977
H -1.291748 3.296467 -0.145377
H -1.460596 1.235214 -0.922149
H -5.529325 -0.656529 1.316268
H -2.911519 -0.412385 -2.132464
H -6.725150 -2.755895 -1.067178


