%chk=000290708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290708

0 1
O 2.539083 0.621364 0.000034
O -3.211658 0.264450 -0.000067
O -1.537803 -1.290939 0.000712
O 3.461435 -1.687339 -0.000588
N -1.113921 1.029994 -0.000722
N 1.193331 -1.341826 -0.000896
N 2.381968 2.001485 0.000421
C 0.299997 1.057700 -0.000272
C 1.076139 2.296978 0.000288
C 1.255879 0.042971 -0.000419
C 0.541096 3.673930 0.000653
C -1.884410 -0.117431 0.000027
C 2.356291 -2.175206 -0.001114
C -4.186241 -0.846422 0.000555
C -5.518967 -0.133302 0.000310
C 2.030829 -3.635924 -0.000800
H -1.581427 1.939829 -0.001180
H -0.071109 3.869171 0.894259
H 1.352529 4.424508 0.000467
H -0.071770 3.869444 -0.892429
H 0.230215 -1.752845 -0.000468
H -4.002290 -1.450746 -0.904329
H -4.002146 -1.449859 0.906001
H -6.350694 -0.849161 0.000709
H -5.631200 0.513984 0.881686
H -5.631325 0.513145 -0.881667
H 1.465720 -3.940398 0.892733
H 2.960842 -4.229966 -0.012932
H 1.443904 -3.937890 -0.880874


%chk=000290708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290708

0 1
O 2.645520 0.730085 0.000354
O -3.153792 0.264639 -0.000574
O -1.419064 -1.318920 0.002923
O 3.570122 -1.926197 -0.007107
N -1.022007 1.011482 -0.000663
N 1.303040 -1.276253 -0.000875
N 2.439657 2.195906 0.001015
C 0.396140 1.090391 0.000005
C 1.094637 2.347917 0.000886
C 1.396928 0.106442 -0.000360
C 0.498249 3.728183 0.001464
C -1.813177 -0.113124 0.000589
C 2.348813 -2.224679 -0.003687
C -4.145098 -0.855650 0.000954
C -5.526862 -0.212407 -0.001184
C 1.825549 -3.660380 -0.000248
H -1.526698 1.900647 -0.002107
H -0.125790 3.901176 0.898684
H 1.304840 4.478510 0.001959
H -0.125473 3.902105 -0.895807
H 0.313418 -1.604776 0.000913
H -3.965039 -1.477618 -0.893964
H -3.966198 -1.474158 0.898498
H -6.301296 -1.000631 -0.000197
H -5.672344 0.416867 0.893213
H -5.671147 0.413449 -0.898170
H 1.219734 -3.860315 0.902757
H 2.683218 -4.347815 -0.016683
H 1.188418 -3.855176 -0.882490


