%chk=000284227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284227

0 1
O 2.811115 0.814196 -0.405037
O 5.299234 0.379571 0.061994
N -2.077565 0.269327 -0.145620
N -3.883191 -1.290164 -0.919997
N -3.139082 -1.260831 1.409094
N -1.358371 0.065379 2.167080
N -4.540931 -2.995067 0.580652
N 5.077017 -1.775706 0.751412
C -3.107368 -0.090532 -1.256121
C -4.065327 1.105836 -1.374891
C -2.347649 -0.363327 -2.557818
C -0.889296 1.011735 -0.495377
C -2.223145 -0.325067 1.126470
C 0.379031 0.451829 -0.244310
C -3.861831 -1.798337 0.299021
C -1.015392 2.281638 -1.072947
C 1.505992 1.203555 -0.585063
C 0.139245 3.005126 -1.407677
C 1.404444 2.487066 -1.168065
C 3.040918 -0.501695 0.166534
C 4.563207 -0.558294 0.300273
C 6.542178 -1.939799 0.884465
C 4.244701 -2.966055 1.013733
H -4.836105 0.892987 -2.128577
H -4.587996 1.304379 -0.432262
H -3.543275 2.024241 -1.670802
H -3.040849 -0.760956 -3.314982
H -1.878755 0.534519 -2.971571
H -1.569650 -1.125292 -2.423678
H 0.455850 -0.538665 0.192778
H -2.002636 2.704107 -1.264463
H 0.036637 3.993687 -1.859279
H 2.313084 3.033510 -1.415042
H -1.628626 -0.242773 3.097966
H -0.971170 1.000066 2.138698
H -5.287651 -3.247127 -0.053949
H -4.729985 -3.187237 1.555607
H 2.649376 -1.264565 -0.530487
H 2.541621 -0.570062 1.150533
H 6.810416 -2.209535 1.918521
H 6.919569 -2.712320 0.195661
H 7.054238 -0.985934 0.638594
H 3.461970 -2.747067 1.760630
H 3.766369 -3.336457 0.090094
H 4.854133 -3.791888 1.419806


%chk=000284227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284227

0 1
O 2.857925 0.990221 -0.253162
O 5.438118 0.343420 0.048840
N -2.043576 0.246481 -0.069782
N -3.473867 -1.648740 -0.789489
N -3.602903 -0.728136 1.485063
N -2.171437 0.971428 2.190604
N -4.682310 -2.714473 0.914473
N 5.028321 -1.921704 0.425853
C -2.786191 -0.431974 -1.246528
C -3.823728 0.575697 -1.816958
C -1.765399 -0.835038 -2.328067
C -0.909068 1.110781 -0.291757
C -2.633175 0.146542 1.184378
C 0.397443 0.573440 -0.150625
C -3.892860 -1.666654 0.470533
C -1.086885 2.474636 -0.628967
C 1.522598 1.405384 -0.361978
C 0.050712 3.293603 -0.837165
C 1.350269 2.770766 -0.707843
C 3.091312 -0.404455 0.092816
C 4.620726 -0.610422 0.180303
C 6.471177 -2.214787 0.486330
C 4.131001 -3.080998 0.546770
H -4.409550 0.076605 -2.608193
H -4.520609 0.897031 -1.022301
H -3.327651 1.462847 -2.251361
H -2.317935 -1.338974 -3.137953
H -1.230600 0.036296 -2.743835
H -1.035925 -1.553276 -1.916849
H 0.491255 -0.482662 0.115607
H -2.098264 2.881427 -0.725012
H -0.080229 4.348486 -1.101280
H 2.240666 3.386363 -0.864475
H -2.573646 0.834509 3.114144
H -1.516096 1.726882 2.008645
H -4.969358 -3.432409 0.256250
H -4.935543 -2.754558 1.896688
H 2.651753 -1.068303 -0.680923
H 2.618373 -0.642476 1.069862
H 6.738017 -2.651750 1.467357
H 6.758851 -2.927576 -0.310537
H 7.020305 -1.271667 0.345381
H 3.093118 -2.776590 0.748541
H 4.140815 -3.700905 -0.372575
H 4.458547 -3.716316 1.390779


