%chk=000254483.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254483

0 1
O -0.990981 1.844420 1.364056
O -3.693816 -2.272025 -0.302566
O -2.932183 -1.144739 -2.102448
O 0.947056 -0.794986 -1.798911
O 2.905050 1.489598 1.735957
N 1.701586 0.649461 -0.110472
N -1.335211 0.350930 -0.335842
C 0.742970 1.761976 -0.354568
C -2.655814 -0.136627 0.135928
C 1.204201 3.108776 0.252158
C 0.580853 2.062766 -1.865561
C 0.550126 4.196160 -0.614944
C 0.135338 3.531216 -1.943112
C -3.742352 0.971100 0.163103
C -2.619154 -0.696904 1.575931
C -0.611321 1.345754 0.320296
C -4.734207 0.558589 1.262925
C -4.053964 -0.540533 2.106571
C -3.084799 -1.201754 -0.903222
C 1.704972 -0.567313 -0.889613
C 2.699868 0.613284 0.942733
C 2.796759 -1.413082 -0.308205
C 3.381768 -0.716694 0.783743
C 3.238595 -2.664958 -0.679088
C 4.411868 -1.268490 1.514235
C 4.297498 -3.234503 0.067842
C 4.868749 -2.554244 1.137124
C -4.181806 -3.318343 -1.188133
H 0.913326 3.191834 1.319483
H 2.305439 3.198786 0.233949
H 1.549035 1.924441 -2.383978
H -0.120582 1.380437 -2.376024
H -0.330526 4.622526 -0.101173
H 1.245658 5.034490 -0.784092
H 0.595210 4.037554 -2.807913
H -0.956993 3.601826 -2.089478
H -4.226348 1.113988 -0.814839
H -3.267354 1.940492 0.423016
H -1.913571 -0.100100 2.191990
H -2.273807 -1.741718 1.608089
H -1.005258 -0.009760 -1.247628
H -5.001223 1.427494 1.888701
H -5.676449 0.186228 0.826419
H -4.603081 -1.494807 2.008784
H -4.051844 -0.280562 3.177527
H 2.791137 -3.201757 -1.516841
H 4.862091 -0.737912 2.354630
H 4.663989 -4.224976 -0.207585
H 5.683539 -3.010758 1.702039
H -3.400738 -3.607435 -1.899526
H -4.423510 -4.126149 -0.490233
H -5.067490 -2.950897 -1.714634


%chk=000254483-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254483

0 1
O -1.141232 1.862958 1.336223
O -4.133716 -2.063292 -0.552690
O -2.269554 -1.712369 -1.891535
O 1.029018 -0.861138 -1.833014
O 2.812597 1.368622 1.940528
N 1.717438 0.606330 -0.070231
N -1.313824 0.244549 -0.326669
C 0.719808 1.700709 -0.304999
C -2.631828 -0.277403 0.104629
C 1.156981 3.062173 0.307972
C 0.583027 2.065311 -1.820207
C 0.342666 4.131815 -0.476504
C -0.137390 3.436083 -1.793116
C -3.774157 0.813999 0.026721
C -2.661523 -0.784587 1.603815
C -0.666085 1.272870 0.315756
C -4.695805 0.525247 1.232931
C -3.700628 0.100689 2.341749
C -2.952650 -1.410545 -0.883802
C 1.796477 -0.572795 -0.876369
C 2.669838 0.539512 1.013120
C 2.922213 -1.388801 -0.333475
C 3.439890 -0.728658 0.801946
C 3.439112 -2.617732 -0.770621
C 4.498547 -1.270665 1.545943
C 4.514466 -3.173522 -0.029979
C 5.035981 -2.510305 1.110704
C -4.550979 -3.141426 -1.483924
H 0.968677 3.099504 1.389045
H 2.240942 3.192077 0.141176
H 1.605326 2.173066 -2.231669
H 0.060673 1.311159 -2.426179
H -0.518755 4.470651 0.123301
H 0.968105 5.017404 -0.687055
H 0.092964 4.027546 -2.696406
H -1.232990 3.286951 -1.773373
H -4.296575 0.800244 -0.946062
H -3.293715 1.798637 0.153421
H -1.655548 -0.705975 2.046570
H -2.970977 -1.843539 1.627831
H -0.875699 -0.219645 -1.139172
H -5.297365 1.408900 1.512483
H -5.386674 -0.304793 0.997000
H -4.191679 -0.437499 3.172080
H -3.193315 0.992542 2.747720
H 3.022611 -3.121111 -1.648526
H 4.886957 -0.751797 2.427785
H 4.948876 -4.130058 -0.339653
H 5.864615 -2.965326 1.663858
H -3.776941 -3.925500 -1.527610
H -5.487787 -3.527977 -1.059561
H -4.708113 -2.730988 -2.495304


