%chk=000223186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223186

0 1
O 2.425795 -2.646507 0.162650
O 4.211259 -0.089093 -0.756355
N 3.786938 0.670238 0.195747
C -1.847088 0.990262 -0.832167
C -3.219845 0.303546 -0.592934
C -3.657945 -0.109221 0.840323
C -0.681612 0.032561 -0.576013
C -1.770580 1.379208 -2.332455
C -1.739328 2.286815 -0.012188
C -4.867279 -1.065794 0.684424
C -4.121611 1.111931 1.659761
C -2.551583 -0.845614 1.609510
C 0.445829 0.407859 0.167190
C -0.713249 -1.253031 -1.148647
C 1.524369 -0.465548 0.359865
C 2.756645 -0.052808 1.104082
C 1.426862 -1.766192 -0.177138
C 0.324640 -2.160312 -0.950878
C 4.954406 1.081084 1.102378
C 3.169941 1.947182 -0.370816
H -4.004694 0.972252 -1.000053
H -3.256355 -0.602937 -1.231672
H -1.904963 0.513659 -2.988065
H -0.795866 1.816212 -2.574819
H -2.535706 2.114674 -2.596968
H -0.815602 2.832143 -0.226751
H -2.572217 2.961554 -0.242163
H -1.781234 2.083599 1.066814
H -4.592599 -1.977931 0.146845
H -5.689557 -0.591967 0.141209
H -5.256512 -1.372797 1.660198
H -4.862922 1.705412 1.117930
H -4.575488 0.803907 2.606972
H -3.280272 1.771911 1.904112
H -2.910728 -1.207532 2.577750
H -2.181264 -1.712738 1.051866
H -1.690480 -0.197413 1.802404
H 0.500915 1.402948 0.608722
H -1.572479 -1.554186 -1.750883
H 2.505384 0.587991 1.970348
H 3.268491 -0.969323 1.494195
H 0.281591 -3.153890 -1.385587
H 4.652172 1.756910 1.905751
H 5.422731 0.179617 1.528006
H 5.734287 1.562196 0.490561
H 2.382944 1.673565 -1.095869
H 2.751868 2.595090 0.402818
H 3.929366 2.497906 -0.947095
H 2.492625 -3.395999 -0.476813


%chk=000223186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223186

0 1
O 2.683956 -2.329558 -0.583394
O 4.615980 -0.839892 -0.052128
N 4.007605 0.388981 0.438273
C -2.028741 1.057772 -0.836551
C -3.356983 0.282721 -0.498034
C -3.762413 -0.145295 0.958364
C -0.773995 0.159235 -0.699683
C -2.142897 1.473877 -2.341882
C -1.902872 2.368628 -0.018662
C -4.883400 -1.215846 0.799277
C -4.364829 1.038901 1.768152
C -2.597090 -0.779953 1.761440
C 0.362423 0.524634 0.056084
C -0.707275 -1.089411 -1.386203
C 1.520541 -0.292976 0.142211
C 2.624967 0.066836 1.102264
C 1.574757 -1.526389 -0.587136
C 0.427573 -1.914393 -1.332997
C 4.948755 0.944151 1.487081
C 3.859165 1.357840 -0.716548
H -4.194145 0.897749 -0.893377
H -3.351986 -0.638842 -1.114877
H -2.296610 0.594980 -2.994014
H -1.220068 1.983293 -2.675262
H -2.996310 2.162591 -2.492173
H -1.071811 2.992180 -0.400047
H -2.832883 2.958313 -0.109335
H -1.725861 2.183830 1.055070
H -4.496473 -2.123401 0.298486
H -5.725414 -0.825296 0.195745
H -5.282804 -1.515546 1.786632
H -5.211384 1.500472 1.223829
H -4.748054 0.675931 2.741400
H -3.624557 1.829010 1.977347
H -2.973202 -1.159602 2.731418
H -2.141379 -1.624773 1.214602
H -1.793246 -0.052614 1.971309
H 0.356035 1.461369 0.627014
H -1.561670 -1.425030 -1.986408
H 2.346615 0.952835 1.701519
H 2.876218 -0.775206 1.772882
H 0.466531 -2.864844 -1.874335
H 4.602067 1.930707 1.840968
H 4.987032 0.221568 2.315212
H 5.943700 1.016588 1.025504
H 3.200741 0.890093 -1.460925
H 3.424010 2.312022 -0.370382
H 4.860800 1.509415 -1.144044
H 3.578881 -1.746257 -0.327582


