%chk=000236821.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236821

0 1
O 2.192153 4.521157 0.923587
O 5.177521 -0.946919 0.538719
O 0.673701 -1.618032 -2.421697
O -5.369107 -0.362493 0.780242
O -3.711143 -0.692553 2.128127
N 0.919673 2.193723 -0.055350
N 2.434184 -0.716593 -0.096092
N -4.188168 -0.287480 1.079682
C 0.451295 0.870607 -0.349086
C 1.131785 -0.289878 -0.509502
C 0.668138 2.648485 1.348578
C 2.291227 2.553456 -0.522343
C 2.961916 -0.131968 1.173439
C 3.459217 -0.694657 -1.189833
C 0.876881 4.172025 1.399480
C 2.422815 4.083502 -0.431189
C 4.186441 -0.969005 1.584966
C 4.681485 -1.489002 -0.703914
C -1.024691 0.894800 -0.582423
C 0.470368 -1.455395 -1.238682
C -1.890611 0.308909 0.348182
C -1.542473 1.521175 -1.728338
C -0.424630 -2.336226 -0.437774
C -3.270767 0.342364 0.104847
C -2.922563 1.545196 -1.955388
C -3.797838 0.953136 -1.043383
C -0.167711 -2.598553 0.915307
C -1.539095 -2.913286 -1.067167
C -1.038446 -3.414599 1.641668
C -2.411907 -3.720316 -0.334163
C -2.164084 -3.967340 1.020575
H -0.377857 2.397959 1.629808
H 1.337732 2.148428 2.080581
H 3.102275 2.079437 0.087385
H 2.415296 2.212894 -1.572080
H 2.174201 -0.182556 1.952514
H 3.269066 0.939792 1.071700
H 3.759453 0.335337 -1.473566
H 3.021962 -1.170760 -2.099706
H 0.888884 4.556170 2.434989
H 0.121231 4.708781 0.798903
H 1.718155 4.600686 -1.105588
H 3.456470 4.424277 -0.619010
H 3.914881 -2.016120 1.806683
H 4.728258 -0.522472 2.437293
H 5.549389 -1.372319 -1.376687
H 4.446577 -2.558881 -0.562226
H -1.506028 -0.183553 1.248682
H -0.857762 1.989452 -2.440124
H -3.317614 2.027463 -2.850661
H -4.879825 0.958265 -1.211479
H 0.717040 -2.175761 1.394369
H -1.714383 -2.727936 -2.129150
H -0.844520 -3.617598 2.693924
H -3.282912 -4.160423 -0.818051
H -2.849736 -4.591703 1.594220


%chk=000236821-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236821

0 1
O 2.469298 4.804071 -0.371327
O 4.311637 -1.636713 1.427228
O -0.773878 -0.743502 -2.117903
O -5.667717 0.279651 1.337602
O -3.872232 -0.941937 2.030031
N 1.083314 2.297687 -0.067556
N 1.941849 -0.538718 0.217537
N -4.400618 0.031527 1.365509
C 0.218182 1.198895 -0.183656
C 0.695873 -0.129045 -0.310770
C 0.918770 3.371007 0.939678
C 2.358966 2.360555 -0.813804
C 2.426232 -0.023513 1.514511
C 2.975908 -1.189426 -0.618787
C 1.164523 4.755706 0.308374
C 2.526565 3.770506 -1.418039
C 3.211768 -1.123337 2.258177
C 3.759188 -2.234514 0.196881
C -1.239227 1.486936 -0.140335
C -0.094932 -1.120484 -1.101959
C -2.117295 0.645163 0.588283
C -1.787038 2.615512 -0.814764
C -0.075250 -2.578584 -0.723336
C -3.497502 0.922618 0.592020
C -3.172013 2.877458 -0.793184
C -4.052307 2.027602 -0.088864
C 0.072923 -3.010928 0.621742
C -0.318481 -3.543487 -1.736297
C -0.018346 -4.381487 0.945028
C -0.389599 -4.915353 -1.416980
C -0.239112 -5.338267 -0.074387
H -0.098736 3.324856 1.363140
H 1.645985 3.221593 1.767519
H 3.228701 2.157006 -0.155811
H 2.337897 1.605627 -1.617787
H 1.556322 0.290491 2.119923
H 3.094854 0.856179 1.392699
H 3.690066 -0.432496 -1.016398
H 2.490222 -1.682167 -1.479138
H 1.205597 5.540505 1.081199
H 0.356065 4.992003 -0.417166
H 1.733497 3.955478 -2.175105
H 3.518135 3.880377 -1.887472
H 2.532476 -1.958062 2.535375
H 3.689079 -0.717950 3.165924
H 4.631137 -2.603055 -0.367532
H 3.095748 -3.084246 0.460920
H -1.739582 -0.212424 1.151160
H -1.114659 3.258194 -1.393390
H -3.572570 3.737789 -1.339103
H -5.130743 2.200822 -0.054728
H 0.229479 -2.270755 1.412791
H -0.467213 -3.191737 -2.762908
H 0.071582 -4.704909 1.988020
H -0.571935 -5.652840 -2.206396
H -0.305052 -6.402780 0.177407


