%chk=000252637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252637

0 1
O 0.262045 -0.691031 0.964873
O 0.772497 2.635718 0.658751
O 0.375836 0.214454 -1.950102
O 3.304880 1.331904 0.857663
O 2.710069 -2.069159 0.692015
O -0.431652 -2.038247 -1.404225
O 2.351427 4.167741 0.101799
O -1.283197 1.016463 -3.266723
O 4.378459 1.356463 -1.137378
O 1.352028 -3.794784 1.261410
N -1.772799 -0.710824 -0.068252
C 1.237822 1.708801 -0.369193
C -0.063225 1.032572 -0.848866
C 2.173211 0.656204 0.250159
C -0.666542 0.200102 0.317112
C 1.506181 -0.102933 1.412520
C 2.327864 -1.318977 1.868246
C -3.062690 -0.474847 0.486750
C -1.489692 -1.917541 -0.817827
C -4.077826 -1.456103 0.344026
C 1.437084 3.843172 0.816365
C -0.346575 0.266344 -3.138336
C 4.361988 1.687005 0.020251
C -2.562285 -2.917535 -0.862259
C -3.371779 0.742201 1.151265
C -3.776374 -2.707488 -0.320157
C -5.369857 -1.200656 0.858936
C -4.645574 0.964447 1.644598
C 0.807174 4.575260 1.946994
C 0.254265 -0.711132 -4.078087
C 5.332097 2.486240 0.810057
C 1.999846 -3.236075 0.411491
C -5.655723 -0.008061 1.500707
C 2.244542 -3.599983 -1.005188
H 1.749810 2.276557 -1.181899
H -0.817455 1.778918 -1.206335
H 2.529932 -0.052190 -0.546981
H -1.008552 0.941746 1.098816
H 1.287467 0.583306 2.261948
H 3.291756 -1.009129 2.310997
H 1.750105 -1.962372 2.563011
H -2.287730 -3.848340 -1.362270
H -2.605001 1.509655 1.272629
H -4.561718 -3.466325 -0.364695
H -6.144175 -1.960863 0.742385
H -4.876502 1.903707 2.149925
H -0.054535 4.040073 2.375823
H 0.459329 5.569857 1.621874
H 1.535551 4.737342 2.758689
H 0.248510 -1.723849 -3.624169
H -0.298759 -0.748062 -5.027288
H 1.308977 -0.477807 -4.294773
H 5.109932 3.563893 0.692207
H 6.362120 2.321012 0.458139
H 5.290693 2.263397 1.886813
H -6.651474 0.186118 1.893879
H 3.183634 -3.181486 -1.396478
H 2.246889 -4.687777 -1.151702
H 1.422477 -3.173595 -1.623642


%chk=000252637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252637

0 1
O 0.445277 -0.957558 0.738891
O 0.613176 2.513358 0.802760
O 0.502327 0.225044 -2.064186
O 3.296779 1.447767 0.920687
O 2.945194 -2.149058 0.515906
O -0.584638 -2.368753 -1.435845
O 2.108763 4.244052 0.306294
O -1.576729 0.405388 -3.107527
O 4.335277 1.758091 -1.149204
O 1.783946 -3.998893 1.360127
N -1.781319 -0.837335 -0.075962
C 1.165946 1.681673 -0.310484
C -0.039223 0.905249 -0.877866
C 2.215451 0.696617 0.238771
C -0.574637 -0.039167 0.235704
C 1.621419 -0.257327 1.297125
C 2.594026 -1.362812 1.716858
C -3.034690 -0.386944 0.421451
C -1.641946 -2.075619 -0.799411
C -4.161298 -1.278783 0.387439
C 1.197833 3.778701 1.020129
C -0.398188 -0.007920 -3.126406
C 4.303070 1.979246 0.077300
C -2.799337 -2.969846 -0.746409
C -3.228345 0.928984 0.934172
C -3.992951 -2.596672 -0.183048
C -5.417480 -0.851793 0.900541
C -4.482737 1.325352 1.433055
C 0.570310 4.439486 2.225704
C 0.277364 -0.806086 -4.208375
C 5.249427 2.841906 0.872963
C 2.329311 -3.420501 0.398545
C -5.586819 0.435505 1.430443
C 2.414246 -3.905008 -1.025024
H 1.612115 2.341021 -1.073389
H -0.850692 1.592802 -1.183890
H 2.627210 0.122891 -0.610330
H -0.846138 0.641132 1.065891
H 1.324763 0.333354 2.192322
H 3.527389 -0.923932 2.103247
H 2.128086 -2.026597 2.466046
H -2.647740 -3.947220 -1.211529
H -2.425383 1.670603 0.920771
H -4.845897 -3.285450 -0.174542
H -6.258727 -1.554077 0.867619
H -4.604875 2.345216 1.813884
H -0.513265 4.245409 2.266142
H 0.764929 5.521534 2.197502
H 1.020703 4.023390 3.145462
H 0.271923 -1.865164 -3.892405
H -0.275496 -0.705180 -5.153785
H 1.326586 -0.495090 -4.333774
H 4.805168 3.851356 0.954109
H 6.213491 2.922323 0.349166
H 5.392929 2.446323 1.890659
H -6.557349 0.755714 1.821376
H 3.324794 -3.534175 -1.520652
H 2.369885 -5.004142 -1.056316
H 1.531591 -3.494880 -1.552404


