%chk=000268853.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268853

0 1
O -2.179214 -0.203049 1.453237
O -2.013132 0.800906 -2.085735
O -4.884124 0.211309 -1.632436
O -4.772034 -1.287891 0.582235
N -0.299866 -0.128803 0.161085
N 1.374145 -1.691895 0.006075
N 1.107089 1.937879 0.244578
N 4.396047 -0.736441 -0.067662
N 3.500981 1.449056 0.108146
C -2.546042 0.172682 -0.935904
C -1.624663 0.467279 0.288349
C -3.991135 0.647192 -0.622291
C -4.485134 0.103958 0.746348
C -3.453600 0.329229 1.857074
C 0.910691 0.583144 0.169626
C 0.053552 -1.519869 0.069689
C 1.948272 -0.406405 0.061758
C 3.301156 0.071207 0.029943
C 2.427401 2.281296 0.207817
C 4.253356 -2.205304 -0.165458
C 5.773164 -0.198346 -0.106822
H -2.530065 -0.904846 -1.222343
H -1.530361 1.566161 0.491126
H -4.066701 1.757380 -0.678969
H -5.484561 0.532919 0.997908
H -3.352489 1.391825 2.137506
H -3.676483 -0.271560 2.762965
H -0.700903 -2.292456 0.067666
H -2.090080 1.779763 -2.041441
H -5.104405 -0.751338 -1.504769
H -3.945300 -1.820562 0.680273
H 2.658481 3.359067 0.265114
H 3.725062 -2.608344 0.721331
H 3.649402 -2.485003 -1.051404
H 5.234239 -2.696207 -0.241580
H 6.369750 -0.609290 0.724840
H 6.258823 -0.450230 -1.064673
H 5.781780 0.907189 -0.009301


%chk=000268853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268853

0 1
O -2.132951 -0.086204 1.460471
O -2.102174 0.403074 -2.234466
O -4.954335 0.165746 -1.627720
O -4.865594 -1.056709 0.893180
N -0.279824 -0.210855 -0.019050
N 1.406744 -1.705694 -0.398538
N 1.037640 1.779247 0.613925
N 4.446414 -0.713595 -0.023999
N 3.449830 1.348010 0.556815
C -2.607116 -0.026288 -0.938294
C -1.589259 0.371766 0.147303
C -3.974704 0.640847 -0.644463
C -4.458078 0.362861 0.797462
C -3.344664 0.690856 1.804703
C 0.917572 0.478353 0.231461
C 0.081214 -1.515550 -0.389781
C 1.959709 -0.458758 -0.011771
C 3.304095 0.027068 0.165733
C 2.352501 2.127718 0.752661
C 4.434074 -2.127432 -0.437165
C 5.777833 -0.117732 0.179842
H -2.751801 -1.130865 -0.916621
H -1.449986 1.472527 0.171352
H -3.883993 1.728679 -0.820821
H -5.375918 0.937704 1.007254
H -3.116383 1.776784 1.808539
H -3.618411 0.367187 2.821155
H -0.651332 -2.275618 -0.645888
H -2.853888 0.324548 -2.879918
H -5.327179 -0.682326 -1.258653
H -4.055943 -1.587610 1.120239
H 2.549688 3.159682 1.058624
H 4.936220 -2.749024 0.330277
H 3.402088 -2.482722 -0.571957
H 4.987086 -2.245615 -1.389704
H 6.325322 -0.669444 0.968609
H 6.365420 -0.170883 -0.757180
H 5.653182 0.931868 0.480288


