%chk=000191018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191018

0 1
O -0.495159 0.714061 0.218410
O 1.659209 1.739210 1.601517
N 2.701150 -0.949950 -0.680643
C 4.125228 -1.420220 -0.589755
C 2.106280 -0.411567 0.571721
C 1.826342 1.091259 0.336420
C 4.501700 -1.929465 -1.996804
C 5.026508 -0.235318 -0.204192
C 4.296045 -2.566892 0.431599
C 0.588804 1.328206 -0.544642
C -2.757752 0.220112 0.510720
C -1.770754 0.792525 -0.297015
C -2.677989 -0.461960 1.850927
C -4.109735 0.236264 0.073136
C -4.127108 -0.827525 2.117478
C -4.927502 -0.427135 1.104967
C -2.120054 1.376750 -1.527135
C -4.468948 0.812706 -1.143952
C -3.459592 1.379151 -1.931735
H 1.160665 -0.932990 0.832953
H 2.772093 -0.509486 1.456809
H 2.102479 -1.691674 -1.055378
H 2.716491 1.606547 -0.096985
H 4.314177 -1.159451 -2.755705
H 5.562971 -2.190984 -2.049116
H 3.931042 -2.817550 -2.283312
H 4.801559 0.146281 0.797698
H 4.896721 0.598660 -0.904491
H 6.082941 -0.519274 -0.217670
H 3.654922 -3.420989 0.196927
H 5.328275 -2.931383 0.445068
H 4.058141 -2.243593 1.449703
H 0.677300 0.821530 -1.521085
H 0.369793 2.401835 -0.667500
H -2.024311 -1.353703 1.821491
H -2.271169 0.208581 2.631047
H -4.407665 -1.339476 3.020224
H -5.992198 -0.545183 1.012413
H -1.367850 1.824331 -2.167331
H 0.788973 1.503078 1.994853
H -5.503180 0.822765 -1.472085
H -3.720846 1.835218 -2.887250


%chk=000191018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191018

0 1
O -0.480110 0.696035 0.419876
O 1.619810 1.700622 1.963819
N 2.648453 -1.062571 -0.429531
C 4.085394 -1.411187 -0.661827
C 2.240944 -0.428622 0.842395
C 1.877745 1.070366 0.658929
C 4.174271 -1.971249 -2.102598
C 4.954214 -0.134150 -0.551021
C 4.600690 -2.487333 0.343183
C 0.688223 1.273410 -0.284189
C -2.825007 0.225558 0.504986
C -1.735583 0.752991 -0.213563
C -2.880355 -0.402953 1.884025
C -4.131818 0.235656 -0.063229
C -4.356164 -0.747984 2.034458
C -5.053917 -0.375762 0.913321
C -1.954049 1.295026 -1.508524
C -4.362743 0.772027 -1.352547
C -3.259304 1.298250 -2.060551
H 1.353802 -0.944315 1.259321
H 3.032703 -0.480060 1.615469
H 2.035769 -1.842244 -0.695272
H 2.747488 1.608030 0.244056
H 3.828157 -1.215736 -2.829685
H 5.213413 -2.253883 -2.349636
H 3.543408 -2.874712 -2.216382
H 4.922549 0.295568 0.466824
H 4.602017 0.631808 -1.264755
H 6.009107 -0.370176 -0.780810
H 4.028316 -3.427755 0.231364
H 5.669714 -2.714474 0.172703
H 4.493390 -2.142036 1.388189
H 0.871244 0.740273 -1.236440
H 0.507546 2.350308 -0.466352
H -2.232503 -1.299407 1.962845
H -2.535015 0.293103 2.675496
H -4.770977 -1.225076 2.926123
H -6.127163 -0.502531 0.748973
H -1.125879 1.710430 -2.089494
H 0.701825 1.435492 2.234757
H -5.365809 0.781520 -1.791391
H -3.405800 1.721045 -3.061016


