%chk=000268808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268808

0 1
O -4.817902 -2.543507 -0.850536
O 5.027883 -2.223238 -0.759289
O 2.593978 1.941791 -0.203317
O -1.998371 3.103868 -0.707472
N -3.266010 -0.508317 0.428388
N 3.072843 -0.641654 0.591444
C -2.908755 0.916966 0.747154
C 1.891238 -0.400158 1.489558
C -1.441948 1.156957 0.509513
C 0.896496 0.518869 0.830152
C -3.126085 -0.779355 -1.040921
C -4.675217 -0.794638 0.861067
C 2.697857 -1.491793 -0.587078
C 4.203598 -1.277401 1.345388
C -0.472773 0.293562 1.024397
C -3.480567 -2.249409 -1.307387
C -4.989714 -2.267597 0.554316
C 3.928176 -1.644796 -1.492938
C 5.397785 -1.436762 0.389705
C 1.295366 1.644385 0.073543
C -1.006324 2.281864 -0.224235
C 0.350662 2.551487 -0.458452
C 0.800317 3.743448 -1.232484
H -3.129931 1.092302 1.825834
H -3.516740 1.656647 0.174420
H 2.260135 0.090755 2.422137
H 1.397489 -1.345693 1.807721
H -2.070789 -0.582957 -1.330159
H -3.763173 -0.116080 -1.664714
H -5.423499 -0.140188 0.364221
H -4.750637 -0.614426 1.954059
H 1.874281 -0.984408 -1.137078
H 2.320284 -2.493049 -0.287285
H 3.930161 -2.266797 1.772173
H 4.483004 -0.617417 2.193800
H -0.807295 -0.582221 1.588893
H -3.545036 -2.475578 -2.385675
H -2.775163 -2.938138 -0.810618
H -4.346392 -2.951936 1.134895
H -6.054465 -2.509624 0.714986
H 3.765911 -2.384416 -2.296924
H 4.249313 -0.679123 -1.921558
H 5.785248 -0.460427 0.049092
H 6.210849 -2.036418 0.836180
H 1.512940 3.450539 -2.020546
H -0.033797 4.277613 -1.709301
H 1.333845 4.453124 -0.580701
H 3.225235 1.173921 0.070282
H -1.608912 3.868523 -1.222750


%chk=000268808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268808

0 1
O -5.004310 -2.731693 -0.482822
O 5.267645 -2.050680 -0.825808
O 2.707958 1.783139 0.013154
O -1.867610 3.330798 -0.712919
N -3.402833 -0.448583 0.335389
N 3.060540 -0.722232 0.518594
C -2.993615 0.978652 0.395952
C 1.784583 -0.615349 1.312474
C -1.486517 1.165390 0.274647
C 0.818302 0.380118 0.688642
C -3.305537 -1.005729 -1.039007
C -4.766098 -0.668135 0.880881
C 2.865009 -1.431591 -0.785188
C 4.171245 -1.351546 1.291734
C -0.577622 0.191923 0.744562
C -3.652751 -2.502067 -1.024004
C -5.094805 -2.169831 0.875529
C 4.176287 -1.414924 -1.585167
C 5.459206 -1.345635 0.450773
C 1.329773 1.584504 0.111524
C -0.943027 2.357617 -0.268344
C 0.453643 2.589754 -0.372605
C 1.002466 3.867991 -0.976236
H -3.333952 1.374796 1.374883
H -3.504088 1.594845 -0.380557
H 2.086810 -0.267849 2.322105
H 1.303128 -1.610143 1.433890
H -2.273876 -0.862666 -1.409849
H -3.999252 -0.474303 -1.738666
H -5.543279 -0.125208 0.285132
H -4.804417 -0.286594 1.919335
H 2.064648 -0.917151 -1.346817
H 2.549066 -2.483366 -0.604355
H 3.909690 -2.398157 1.567887
H 4.328373 -0.774306 2.222090
H -1.002045 -0.727583 1.165941
H -3.670958 -2.919584 -2.044386
H -2.906562 -3.050580 -0.408405
H -4.390493 -2.705594 1.548785
H -6.132415 -2.352884 1.201012
H 4.080053 -2.002138 -2.512419
H 4.451417 -0.367960 -1.837909
H 5.776660 -0.297366 0.259162
H 6.269085 -1.884256 0.968991
H 2.102159 3.817416 -0.992220
H 0.661723 4.022656 -2.020855
H 0.721883 4.764785 -0.386822
H 3.138102 0.834776 0.213499
H -1.387994 4.105622 -1.099305


