%chk=000289189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289189

0 1
O 0.045716 0.414264 1.634363
O -0.896360 -1.011438 -1.592176
O -2.981481 -0.304700 0.092248
O -1.263059 2.814771 0.334726
O 0.518851 -2.934169 1.674684
O 2.690843 -2.927684 0.965496
O -0.428754 0.388747 -3.310867
O -3.912827 -0.442214 -1.972543
O -1.996682 4.091876 2.048200
N 1.247331 -1.155644 0.434426
C -0.678615 0.060683 -0.645528
C -2.040237 0.717694 -0.347143
C -0.110295 -0.622182 0.623893
C -1.960837 1.654314 0.874317
C -1.180751 1.037746 2.043512
C 2.281966 -0.345784 -0.187872
C 1.613383 -2.379544 1.033333
C -0.772097 -0.706783 -2.948027
C -3.856532 -0.847290 -0.838841
C -1.360739 4.012130 1.025753
C 3.166733 -0.952835 -1.095541
C 2.378972 1.024023 0.106342
C -1.135992 -1.916492 -3.726927
C -4.639058 -1.916484 -0.165430
C -0.587784 5.042992 0.288187
C 4.140553 -0.170826 -1.719888
C 3.354400 1.789456 -0.534938
C 4.233632 1.198127 -1.448093
C 0.756980 -4.196917 2.383672
C 1.497065 -3.930941 3.675750
H 0.021690 0.821957 -1.077226
H -2.439125 1.233912 -1.253847
H -0.806387 -1.415629 1.004145
H -2.976516 1.975211 1.208597
H -0.822487 1.810044 2.754613
H -1.805982 0.293705 2.573647
H 3.109162 -2.024214 -1.291779
H 1.701069 1.480497 0.835028
H -2.206255 -1.881231 -4.002104
H -0.977143 -2.847643 -3.160369
H -0.555708 -1.975068 -4.661036
H -4.471471 -1.943931 0.923884
H -4.363650 -2.907330 -0.563542
H -5.718827 -1.782813 -0.340679
H -0.124491 4.646471 -0.632348
H -1.235380 5.887004 -0.001050
H 0.218925 5.453358 0.917513
H 4.831511 -0.634417 -2.423331
H 3.433184 2.853125 -0.315356
H 4.991830 1.800911 -1.943340
H 1.303765 -4.879918 1.709165
H -0.284982 -4.534182 2.533656
H 1.021868 -3.130098 4.257659
H 2.534081 -3.612646 3.481424
H 1.541697 -4.825471 4.307487


%chk=000289189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289189

0 1
O 0.029675 0.509077 1.742409
O -0.755612 -0.960211 -1.604369
O -2.965867 -0.387648 0.121356
O -1.238987 2.848365 0.387773
O 0.507770 -2.881059 1.838412
O 2.713796 -2.910749 1.048248
O -0.543352 0.677348 -3.256547
O -3.784021 -0.595533 -2.062264
O -2.285746 4.170211 1.998931
N 1.253659 -1.136968 0.506990
C -0.637646 0.099988 -0.580087
C -2.034001 0.697643 -0.302994
C -0.064052 -0.553814 0.693134
C -1.998670 1.669045 0.889284
C -1.297086 1.032212 2.100250
C 2.268955 -0.431387 -0.256063
C 1.594927 -2.349469 1.124006
C -0.727129 -0.517365 -2.947888
C -3.773017 -0.975955 -0.873825
C -1.477034 4.066407 1.050666
C 2.945999 -1.092027 -1.308422
C 2.562319 0.920578 0.044553
C -0.983144 -1.671033 -3.883431
C -4.578700 -2.106755 -0.278369
C -0.616339 5.160260 0.465156
C 3.919388 -0.397652 -2.057190
C 3.526191 1.612168 -0.722761
C 4.209522 0.957281 -1.772115
C 0.799617 -4.135606 2.593494
C 1.428761 -3.820894 3.952825
H 0.013980 0.910493 -0.951264
H -2.424824 1.183206 -1.213172
H -0.745281 -1.344764 1.050153
H -3.019276 1.988374 1.169124
H -1.124651 1.775217 2.893227
H -1.942877 0.218093 2.490223
H 2.722398 -2.140763 -1.522049
H 2.038155 1.406045 0.872489
H -2.076895 -1.814673 -3.960733
H -0.540549 -2.602473 -3.497179
H -0.586040 -1.437715 -4.882460
H -4.979300 -1.826314 0.708997
H -3.923142 -2.984982 -0.135187
H -5.396623 -2.379454 -0.960804
H -0.497094 5.027435 -0.621377
H -1.060043 6.141514 0.689738
H 0.389612 5.117811 0.921766
H 4.447166 -0.913115 -2.867129
H 3.749425 2.659585 -0.491059
H 4.961598 1.494264 -2.360546
H 1.465080 -4.767938 1.980262
H -0.190896 -4.608761 2.692588
H 0.786659 -3.138954 4.536602
H 2.420223 -3.356274 3.822817
H 1.557723 -4.755820 4.529712


