%chk=000273417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273417

0 1
O 0.826658 -2.337315 0.101403
O -0.425690 1.731711 1.750179
O -0.413635 -1.694298 1.879837
O 4.181764 0.082327 2.198417
O 0.390106 2.184254 -1.527203
N 0.303582 -0.075333 -1.180121
C 0.418804 0.006174 0.291167
C 1.791408 0.541224 0.753040
C 2.979695 -0.198941 0.143735
C -0.704233 0.955657 0.878098
C 0.196684 -1.397559 0.884940
C -2.070266 0.800881 0.295969
C 4.225724 -0.056098 0.998322
C 0.365091 1.062483 -2.000729
C -2.525920 1.743963 -0.634605
C -2.901608 -0.243645 0.718351
C 5.528412 -0.124367 0.251169
C 0.709421 -3.747397 0.492929
C 0.347194 0.766069 -3.472925
C -3.816551 1.627804 -1.157420
C -4.192324 -0.350926 0.192984
C -4.648552 0.581340 -0.745144
C -0.641597 -4.282619 0.073613
H 1.842917 0.513503 1.868865
H 1.846160 1.626649 0.500815
H 3.161374 0.156766 -0.888560
H 2.756840 -1.287167 0.043430
H 0.367358 -1.013548 -1.579601
H -1.870024 2.564209 -0.944711
H -2.548737 -0.960636 1.464872
H 6.376181 -0.224532 0.946781
H 5.573130 -0.965434 -0.448867
H 5.701105 0.795554 -0.324738
H 0.880221 -3.820614 1.582784
H 1.552538 -4.187088 -0.069886
H 1.189883 0.141803 -3.794253
H 0.407939 1.708997 -4.043407
H -0.582057 0.267467 -3.783621
H -4.176046 2.359131 -1.879663
H -4.845277 -1.157718 0.521837
H -5.656003 0.496218 -1.150142
H -0.706048 -5.367713 0.226499
H -0.852036 -4.083025 -0.984334
H -1.453086 -3.824312 0.659693


%chk=000273417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273417

0 1
O 0.364827 -2.433312 -0.102897
O -0.455322 1.684844 1.668816
O 0.451652 -1.616498 2.081886
O 4.471278 1.586849 1.403173
O 0.240035 2.144584 -1.585148
N 0.555352 -0.126483 -1.260104
C 0.564831 -0.010606 0.209678
C 1.888242 0.636767 0.730822
C 3.136475 -0.177986 0.358152
C -0.653525 0.882460 0.725067
C 0.439751 -1.405108 0.853320
C -2.017839 0.708685 0.124751
C 4.448037 0.515900 0.743632
C 0.406524 0.983027 -2.071887
C -2.948060 1.765870 0.318938
C -2.431461 -0.457634 -0.572402
C 5.733077 -0.155608 0.265059
C 0.248108 -3.831616 0.432081
C 0.434706 0.719271 -3.571788
C -4.260057 1.665650 -0.181902
C -3.751099 -0.561271 -1.062919
C -4.666558 0.500023 -0.875741
C -1.211792 -4.181419 0.727261
H 1.808579 0.752719 1.822749
H 1.946441 1.654137 0.308959
H 3.170898 -0.393838 -0.730368
H 3.135906 -1.169089 0.861357
H 0.635428 -1.065442 -1.655916
H -2.614647 2.655894 0.861539
H -1.738266 -1.289919 -0.723091
H 6.590853 0.198718 0.857981
H 5.664863 -1.257130 0.317036
H 5.911473 0.113548 -0.794870
H 0.870313 -3.901495 1.341133
H 0.674542 -4.450970 -0.372952
H 0.688863 -0.323155 -3.830532
H 1.166184 1.396531 -4.044099
H -0.555652 0.960693 -3.996602
H -4.965439 2.490551 -0.034694
H -4.066477 -1.468301 -1.590766
H -5.688119 0.419397 -1.264139
H -1.275624 -5.232019 1.065881
H -1.840282 -4.073795 -0.173798
H -1.616519 -3.539526 1.527144


