%chk=000251336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251336

0 1
O -2.582416 -0.358138 0.489189
O -0.336505 2.289233 0.596402
N 0.248507 0.263025 -0.302191
C -0.160054 -1.081340 -0.804328
C -0.121442 -2.125270 0.322706
C -0.440370 -3.526154 -0.213440
C 1.670723 0.503839 -0.159208
C -0.686672 1.206559 0.156614
C -0.414853 -4.569613 0.900741
C 2.175986 1.169204 0.972312
C 2.546173 0.060671 -1.168347
C -2.132834 0.891549 0.025261
C 3.550843 1.380000 1.088164
C 3.918555 0.276621 -1.032374
C -3.192431 1.646217 -0.415255
C 4.426118 0.932357 0.093331
C -4.375786 0.844369 -0.234796
C -3.967552 -0.343348 0.315229
H -1.180887 -1.020799 -1.245126
H 0.518401 -1.377829 -1.637100
H -0.847028 -1.845502 1.114552
H 0.872160 -2.121265 0.813087
H 0.287385 -3.805858 -1.000837
H -1.434725 -3.527337 -0.702143
H -1.147479 -4.343700 1.684263
H -0.645413 -5.568683 0.513797
H 0.569200 -4.623876 1.381389
H 1.497907 1.543760 1.742367
H 2.160494 -0.439911 -2.054672
H 3.941334 1.900333 1.962710
H 4.596218 -0.065520 -1.813736
H -3.163321 2.646073 -0.811769
H 5.496194 1.098867 0.192381
H -5.374149 1.149106 -0.486000
H -4.438082 -1.244140 0.643126


%chk=000251336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251336

0 1
O -2.702936 -0.333901 0.232135
O -0.355076 2.441085 -0.036973
N 0.215275 0.189657 -0.382501
C -0.157256 -1.187105 -0.812632
C -0.045571 -2.231779 0.318646
C -0.380402 -3.655234 -0.181002
C 1.626900 0.472692 -0.204395
C -0.709852 1.225265 -0.177317
C -0.254798 -4.718274 0.931431
C 2.074304 1.143438 0.962256
C 2.573484 0.059418 -1.173919
C -2.168583 0.933720 -0.132300
C 3.449010 1.388683 1.154593
C 3.950849 0.300968 -0.971560
C -3.217943 1.832026 -0.293669
C 4.396610 0.964963 0.192812
C -4.446657 1.120176 -0.041595
C -4.097807 -0.182466 0.278752
H -1.182946 -1.170750 -1.210254
H 0.504775 -1.481687 -1.648106
H -0.735214 -1.950495 1.136517
H 0.981747 -2.216113 0.733462
H 0.294158 -3.920311 -1.021472
H -1.411150 -3.667407 -0.590923
H -0.936378 -4.493477 1.773149
H -0.502022 -5.728148 0.555767
H 0.774948 -4.749520 1.334132
H 1.345112 1.482489 1.702737
H 2.243661 -0.429363 -2.096443
H 3.780987 1.909622 2.059442
H 4.671493 -0.021485 -1.731370
H -3.094807 2.881866 -0.548405
H 5.464373 1.154692 0.346986
H -5.456534 1.522726 -0.085432
H -4.657554 -1.072470 0.553750


