%chk=000236464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236464

0 1
O 4.694713 -0.239643 -0.077324
O 4.147850 1.972099 0.074172
O -4.991596 -0.961593 0.884102
O -3.742841 0.953630 0.680079
O 5.248143 -1.149604 2.827625
O -8.014897 -0.284696 0.777375
N 0.325695 -0.404177 -1.142421
N 3.041171 0.575513 -1.449437
N -3.391947 -0.909146 -0.700346
C 0.666010 1.004810 -0.753256
C 1.488745 -1.315610 -0.883711
C 1.868384 1.488672 -1.586908
C 2.692176 -0.845012 -1.726743
C -0.902395 -0.875777 -0.427806
C -2.114265 -0.433130 -1.279436
C 3.940708 0.879701 -0.414058
C 5.860574 0.001641 0.765664
C -3.984680 -0.180887 0.324715
C 5.438099 0.136369 2.227259
C -5.838358 -0.305640 1.874122
C -6.909309 0.531065 1.176329
H -0.214756 1.649631 -0.971218
H 0.880980 1.119259 0.331673
H 1.203843 -2.342704 -1.200607
H 1.772144 -1.370946 0.189084
H 2.159978 2.521884 -1.286686
H 1.605596 1.516622 -2.670044
H 2.448891 -0.912827 -2.813643
H 3.576465 -1.495948 -1.542518
H -0.891515 -1.982782 -0.337904
H -0.995361 -0.480687 0.607458
H -2.029431 -0.833182 -2.315738
H -2.143485 0.679638 -1.365451
H -3.621054 -1.895897 -0.803992
H 6.452436 -0.915250 0.579057
H 6.395140 0.896976 0.400378
H 6.241031 0.582888 2.847045
H 4.515601 0.738766 2.332971
H -5.206913 0.297850 2.551175
H -6.264768 -1.180171 2.403234
H -7.375881 1.259568 1.869384
H -6.503084 1.067819 0.298160
H 4.544334 -1.640105 2.353809
H -7.720473 -0.950787 0.119179


%chk=000236464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236464

0 1
O 5.032689 -0.064856 -0.220423
O 4.271522 2.153256 0.027703
O -5.445376 -0.889373 0.596813
O -3.831359 0.839557 0.717703
O 6.240361 -1.235076 2.203671
O -8.217956 -0.007320 0.072174
N 0.203844 -0.592102 -0.816930
N 2.865478 0.469506 -0.809072
N -3.574833 -1.016697 -0.698199
C 0.466774 0.780122 -0.305648
C 1.363763 -1.477813 -0.546447
C 1.712252 1.376622 -0.985834
C 2.629254 -0.924815 -1.233725
C -1.088851 -1.142840 -0.348768
C -2.259509 -0.616490 -1.218471
C 4.050433 0.958332 -0.310448
C 6.351725 0.376794 0.317919
C -4.229883 -0.254166 0.238964
C 6.379607 0.179285 1.834598
C -6.270789 -0.161574 1.604355
C -7.265760 0.753861 0.888368
H -0.403460 1.425608 -0.516860
H 0.620131 0.774157 0.802561
H 1.147142 -2.483412 -0.951535
H 1.561025 -1.581491 0.551148
H 1.972211 2.354482 -0.550472
H 1.512759 1.505719 -2.068168
H 2.476070 -0.946036 -2.331587
H 3.510186 -1.533781 -0.986342
H -1.049625 -2.246127 -0.424251
H -1.295215 -0.892251 0.719136
H -2.146651 -0.985951 -2.252292
H -2.234307 0.485786 -1.247677
H -3.992454 -1.908099 -0.966160
H 7.076570 -0.286673 -0.180691
H 6.520943 1.433717 0.047694
H 7.361723 0.487957 2.231900
H 5.592006 0.800674 2.307537
H -5.605759 0.412463 2.273608
H -6.793122 -0.963267 2.150410
H -7.881726 1.287041 1.632610
H -6.715771 1.501282 0.280401
H 5.431253 -1.584296 1.748945
H -7.695617 -0.593515 -0.533414


