%chk=000215494.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215494

0 1
O -0.057062 1.768424 -1.681151
O -1.172460 3.690596 0.604311
O 1.347226 3.655605 0.840879
O 1.736281 -0.247244 -1.564617
N -1.592997 0.318577 -0.632875
N 3.392284 1.052886 -0.675786
N -1.779756 -1.947073 -0.965275
N -3.464366 0.615501 1.016294
N 5.704346 -1.648126 0.578201
N -4.621168 -1.489764 1.499631
N -4.000704 -3.559820 0.535442
C -0.727262 2.334468 0.572805
C -1.174187 1.729388 -0.789455
C 0.823549 2.389711 0.501394
C 1.172302 2.047876 -0.971944
C 2.090749 0.822703 -1.105614
C -2.662296 -0.108989 0.165837
C -1.091239 -0.855886 -1.300865
C -2.767891 -1.524020 -0.054335
C 4.410346 -0.024402 -0.718531
C 4.546142 -0.700353 0.663998
C -3.798722 -2.211125 0.652522
C -4.411857 -0.143638 1.633922
C 5.282264 -2.954165 -0.010358
C 6.314205 -1.860731 1.924573
H -1.106034 1.778171 1.455608
H -1.975234 2.321540 -1.301000
H 1.302990 1.697043 1.229839
H 1.594686 2.927546 -1.514779
H -1.979377 3.767531 1.167557
H 0.701647 4.383258 0.608552
H -0.226030 -0.786091 -1.968561
H 3.670531 1.931051 -0.247052
H 4.121171 -0.777743 -1.490569
H 5.385631 0.407854 -1.036722
H 4.748476 0.067899 1.439876
H 3.589595 -1.189022 0.946713
H -5.094346 0.379125 2.325874
H 4.833549 -2.781320 -1.002387
H 4.561327 -3.524478 0.593678
H 6.176897 -3.578748 -0.164704
H 7.181226 -2.533814 1.820081
H 5.638337 -2.287857 2.679403
H 6.699749 -0.899858 2.301232
H -4.752262 -4.014376 1.028931
H -3.432755 -4.104112 -0.096671


%chk=000215494-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215494

0 1
O -0.103287 1.590109 -1.718486
O -0.813050 3.762090 0.384835
O 1.529973 2.922601 1.270087
O 1.935057 -0.340834 -1.789952
N -1.702508 0.235064 -0.551414
N 3.415771 1.085767 -0.675647
N -1.894434 -2.047113 -0.643324
N -3.716625 0.770638 0.804590
N 5.891836 -1.505922 0.610442
N -4.967464 -1.258954 1.416728
N -4.292329 -3.432971 0.777716
C -0.776091 2.300093 0.494482
C -1.244186 1.618600 -0.817347
C 0.733924 1.944932 0.551296
C 1.132217 1.855717 -0.960184
C 2.184399 0.754715 -1.204696
C -2.861028 -0.082747 0.163609
C -1.161578 -0.981169 -1.022472
C -2.960711 -1.497572 0.095355
C 4.560939 0.160669 -0.705722
C 4.685300 -0.650499 0.608557
C -4.076508 -2.082006 0.763267
C -4.743774 0.089827 1.402407
C 5.773765 -2.678517 -0.283757
C 6.305079 -1.899040 1.973746
H -1.352926 1.948395 1.366270
H -2.063946 2.175893 -1.303598
H 0.883681 0.978693 1.059544
H 1.524041 2.839499 -1.282102
H -1.721434 4.097146 0.580736
H 1.062933 3.797368 1.149856
H -0.240423 -0.997433 -1.606578
H 3.489190 1.948433 -0.125879
H 4.404739 -0.511450 -1.565590
H 5.494358 0.728462 -0.866922
H 4.768341 0.060124 1.453634
H 3.742902 -1.235970 0.760410
H -5.479373 0.697987 1.937501
H 5.575160 -2.358796 -1.320420
H 4.956640 -3.379267 0.022736
H 6.726311 -3.237464 -0.282769
H 7.259790 -2.453093 1.924612
H 5.558476 -2.548839 2.497146
H 6.466674 -0.997054 2.590480
H -5.106428 -3.799153 1.266668
H -3.645893 -4.052961 0.294050


