%chk=000218572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218572

1 1
O -4.182201 0.764959 -0.016828
N 0.549595 1.190958 0.004666
N 0.763449 -1.634963 0.000871
C -0.601781 0.414734 -0.001588
C 1.815417 0.587512 0.009167
C -0.432457 -1.040894 -0.003340
C 1.884176 -0.851687 0.007075
C -1.897874 0.962275 -0.006269
C 0.422342 2.669366 0.006564
C 3.028194 1.337519 0.015670
C -1.627566 -1.878881 -0.010023
C -3.007904 0.113584 -0.012740
C 3.172948 -1.494703 0.011628
C -2.864809 -1.325692 -0.014556
C 4.239472 0.686447 0.019881
C 4.313769 -0.739601 0.017846
C -5.431483 0.008085 -0.024058
H -2.074964 2.040325 -0.005011
H -0.126583 3.017815 0.905666
H 1.409261 3.175764 0.011663
H -0.118774 3.020766 -0.896128
H 2.990425 2.432034 0.017255
H -1.469474 -2.967749 -0.011120
H 3.197012 -2.592209 0.009894
H -3.759587 -1.955375 -0.019524
H 5.175094 1.259650 0.024890
H 5.301419 -1.214757 0.021354
H -5.510217 -0.588740 -0.937639
H -6.170725 0.827304 -0.027237
H -5.519573 -0.590145 0.887772


%chk=000218572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218572

1 1
O -4.219463 0.782003 -0.017063
N 0.571750 1.209789 0.004795
N 0.782514 -1.637019 0.000946
C -0.589547 0.426805 -0.001578
C 1.841576 0.612263 0.009355
C -0.428005 -1.029640 -0.003301
C 1.904425 -0.846975 0.007160
C -1.882725 0.985924 -0.006336
C 0.397167 2.685490 0.006421
C 3.061557 1.346545 0.015947
C -1.605792 -1.858175 -0.009814
C -3.012468 0.136825 -0.012751
C 3.177074 -1.506502 0.011579
C -2.872894 -1.302047 -0.014481
C 4.286310 0.664464 0.020138
C 4.355491 -0.765046 0.017987
C -5.483274 0.006153 -0.024251
H -2.068022 2.061043 -0.005382
H -0.163633 2.991650 0.905122
H 1.363927 3.195365 0.011239
H -0.156116 2.994481 -0.895953
H 3.079530 2.437371 0.017888
H -1.446529 -2.939776 -0.010871
H 3.169066 -2.599648 0.009684
H -3.756269 -1.945124 -0.019390
H 5.214300 1.245039 0.025205
H 5.329103 -1.262106 0.021403
H -5.552438 -0.612756 -0.936277
H -6.268728 0.772410 -0.027078
H -5.561287 -0.615105 0.885457


