%chk=000101505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000101505

0 1
O -3.190431 -0.237753 0.171954
O 3.525989 2.859066 -0.905786
O 6.103891 0.142008 1.203359
O -6.675100 -0.125798 0.524769
O -5.253642 -1.755269 0.715415
N 4.159141 0.745448 -0.019126
N 1.889273 -0.003866 0.016753
N 3.738530 -1.588119 -0.268310
N -5.548768 -0.595170 0.501678
C 3.237715 -0.300617 -0.092999
C 3.723518 2.128923 0.296976
C 5.615660 0.456063 -0.091606
C 1.010637 -1.038071 -0.097482
C -2.332992 0.823762 -0.148976
C -0.427408 -0.722954 0.004079
C 1.447708 -2.361838 -0.301289
C -0.924819 0.501884 -0.231827
C 2.829837 -2.585992 -0.376109
C -3.053641 1.994420 -0.323534
C -4.473623 0.331925 0.187609
C -4.429631 1.680195 -0.107033
H 2.714437 2.157598 0.772519
H 4.493987 2.626103 0.923773
H 6.176366 1.375024 -0.364821
H 5.818244 -0.378754 -0.798622
H -1.073521 -1.565938 0.279637
H -0.270823 1.347852 -0.503315
H 0.742542 -3.180916 -0.397793
H -2.662683 2.965067 -0.574710
H 3.240276 -3.594967 -0.522042
H -5.265278 2.360968 -0.163046
H 4.331272 2.895224 -1.457527
H 5.785538 -0.744508 1.496231


%chk=000101505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101505

0 1
O -3.236701 -0.277693 0.082820
O 3.326800 2.890641 -1.065416
O 6.120695 -0.265592 0.940454
O -6.801582 0.083259 0.144365
O -5.479714 -1.800974 0.231248
N 4.142402 0.806467 -0.030497
N 1.916057 0.001640 0.008255
N 3.829111 -1.526123 -0.043331
N -5.650170 -0.521251 0.155020
C 3.254005 -0.260051 -0.029713
C 3.679362 2.179497 0.168302
C 5.589686 0.503845 -0.163683
C 1.061916 -1.071519 0.002668
C -2.298434 0.781449 -0.009180
C -0.379617 -0.807287 0.028652
C 1.558463 -2.405411 -0.043038
C -0.898190 0.463473 -0.024018
C 2.958659 -2.572830 -0.061288
C -2.993882 2.002190 -0.071972
C -4.495988 0.326290 0.073568
C -4.392764 1.712453 -0.019405
H 2.741252 2.165851 0.738368
H 4.470306 2.720328 0.724337
H 6.134474 1.461356 -0.163139
H 5.749695 -0.028274 -1.122475
H -1.048822 -1.674182 0.079992
H -0.200295 1.306429 -0.091252
H 0.883684 -3.264348 -0.058000
H -2.532254 2.984483 -0.149584
H 3.410354 -3.570142 -0.079839
H -5.227341 2.407760 -0.045454
H 4.136805 3.017430 -1.622546
H 5.674230 -1.158161 0.864581


