%chk=000289668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289668

0 1
O -6.196313 -0.095178 0.230523
O -5.334756 -2.056611 0.522479
N -0.083305 1.413857 -0.213252
N 1.034315 0.631793 -0.113204
N -5.242078 -0.854280 0.324616
N 5.501434 -1.628274 0.143265
C -1.345200 0.802899 -0.066100
C 2.232570 1.141608 -0.213965
C 3.354470 0.169496 -0.086303
C -2.482978 1.644933 -0.168123
C -1.499399 -0.585062 0.167388
C -3.899979 -0.282644 0.190641
C -3.751232 1.097476 -0.039754
C -2.770186 -1.120505 0.294298
C 2.604292 2.573106 -0.442335
C 4.301932 0.326437 0.935857
C 3.484275 -0.894403 -0.988165
C 5.357374 -0.595499 1.014682
C 4.573312 -1.769322 -0.837646
H -2.373839 2.712013 -0.346153
H -0.616431 -1.224546 0.247804
H -0.030248 2.425084 -0.360120
H -4.644723 1.729208 -0.115709
H -2.912842 -2.192994 0.475655
H 2.167374 2.965312 -1.372310
H 3.693603 2.707727 -0.538081
H 2.282906 3.217169 0.388861
H 4.218023 1.134398 1.658110
H 2.753148 -1.047305 -1.779800
H 6.121412 -0.517938 1.797864
H 4.717670 -2.617154 -1.518823


%chk=000289668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289668

0 1
O -6.298373 0.017311 -0.048230
O -5.444903 -2.102423 -0.029782
N -0.051198 1.342322 -0.032680
N 1.062440 0.538854 -0.034291
N -5.304771 -0.814716 -0.038251
N 5.642473 -1.650524 -0.014899
C -1.336243 0.783371 -0.034027
C 2.262622 1.111168 -0.024092
C 3.421307 0.183011 -0.021191
C -2.460530 1.659575 -0.045279
C -1.533163 -0.627104 -0.022423
C -3.941150 -0.265088 -0.036528
C -3.761735 1.138475 -0.046487
C -2.834533 -1.148126 -0.023994
C 2.447783 2.619526 -0.017685
C 4.748437 0.618203 0.247350
C 3.245894 -1.207758 -0.284379
C 5.805455 -0.319784 0.240246
C 4.360874 -2.065869 -0.270572
H -2.310217 2.745991 -0.054075
H -0.660326 -1.282423 -0.008575
H 0.029422 2.367153 -0.022374
H -4.639733 1.789263 -0.055445
H -3.015753 -2.226113 -0.014435
H 1.896956 3.092017 -0.856460
H 3.501376 2.906059 -0.134975
H 2.082165 3.073013 0.925841
H 4.978182 1.663005 0.476934
H 2.246980 -1.594387 -0.500228
H 6.832132 0.002561 0.448539
H 4.242729 -3.135762 -0.475351


