%chk=000259607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259607

0 1
O 3.345611 -1.381217 -0.955229
O 5.073942 0.411104 2.724745
O -1.501186 0.809759 -1.107012
O -0.374216 0.535215 0.882805
N 2.542485 0.062991 0.617322
N 0.054010 -0.812399 -0.964159
N 5.458163 -0.972351 0.965507
C 1.122483 -3.050724 -0.966636
C 1.020582 -1.690988 -0.265322
C 3.796263 0.852538 0.682016
C 3.544561 2.245328 1.273928
C -0.119765 -3.937909 -0.741566
C 2.674944 3.145214 0.368194
C 2.409882 -0.995886 -0.265083
C -0.075155 -5.138314 -1.694720
C -0.206930 -4.409805 0.714268
C 3.364798 4.494798 0.127979
C 1.285172 3.358841 0.979725
C 4.808238 0.089599 1.579801
C -0.593183 0.196841 -0.271088
C -2.315925 1.877815 -0.514241
C -3.509306 1.280067 0.172003
C -4.741820 1.204793 -0.491840
C -3.390567 0.797732 1.484245
C -5.852418 0.660597 0.160049
C -4.502605 0.253209 2.130347
C -5.734578 0.186512 1.470436
H 2.034820 -3.574248 -0.606140
H 1.311106 -2.911386 -2.051143
H 0.686754 -1.836373 0.803523
H 4.228558 0.946305 -0.354464
H 4.529721 2.720930 1.470403
H 3.103174 2.153930 2.289012
H -1.036858 -3.339653 -0.973067
H 2.543554 2.646135 -0.625160
H 1.746252 0.412053 1.170936
H -0.065149 -4.824488 -2.743843
H -0.949256 -5.785169 -1.556930
H 0.813447 -5.757975 -1.528546
H -0.271593 -3.566891 1.411462
H -1.095302 -5.031259 0.876186
H 0.663271 -5.010374 1.001675
H 4.340879 4.368195 -0.352233
H 2.761935 5.138594 -0.521607
H 3.525304 5.040592 1.064619
H 0.656003 3.974810 0.329758
H 0.759757 2.406645 1.140912
H 1.341889 3.865351 1.949702
H -0.169572 -1.008040 -1.938064
H 5.151426 -1.345573 0.069094
H 6.083919 -1.551400 1.504071
H -1.683397 2.478021 0.167971
H -2.567165 2.462681 -1.419908
H -4.837222 1.565206 -1.514837
H -2.421883 0.840324 1.991955
H -6.809964 0.604730 -0.355068
H -4.409077 -0.119810 3.149264
H -6.601112 -0.235923 1.976695


%chk=000259607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259607

0 1
O 3.552219 -1.334863 -0.887872
O 5.170131 0.671506 2.940512
O -1.462724 0.760887 -0.928954
O -0.282490 0.375238 1.081216
N 2.589443 0.024762 0.742290
N 0.151126 -0.843916 -0.867624
N 5.456846 -0.839030 1.187232
C 1.285292 -3.048201 -1.032639
C 1.172828 -1.723035 -0.255985
C 3.760754 0.920369 0.900814
C 3.328023 2.274225 1.493224
C -0.015730 -3.891945 -1.077460
C 2.365857 3.104910 0.603500
C 2.547999 -0.996919 -0.170515
C 0.213344 -5.148565 -1.951335
C -0.506071 -4.292129 0.334883
C 3.024500 3.531561 -0.730337
C 1.874497 4.344750 1.388274
C 4.857014 0.245875 1.789628
C -0.512708 0.109238 -0.140522
C -2.296669 1.801595 -0.223668
C -3.562790 1.203537 0.347384
C -4.760204 1.201451 -0.412141
C -3.567069 0.640170 1.650252
C -5.944623 0.642295 0.117063
C -4.750448 0.080077 2.179629
C -5.941240 0.080291 1.415058
H 2.091383 -3.642763 -0.562567
H 1.638518 -2.832168 -2.060221
H 0.842423 -1.915287 0.782407
H 4.202536 1.052144 -0.106317
H 4.243634 2.861585 1.694120
H 2.868761 2.094076 2.484854
H -0.816329 -3.287496 -1.554400
H 1.477390 2.482492 0.366905
H 1.725136 0.240172 1.265789
H 0.545239 -4.878565 -2.971510
H -0.713648 -5.744183 -2.041357
H 0.990275 -5.799326 -1.505678
H -0.793219 -3.414593 0.942125
H -1.392680 -4.948734 0.266585
H 0.282257 -4.845634 0.881230
H 3.314536 2.663797 -1.350849
H 2.330490 4.149465 -1.330065
H 3.934047 4.134100 -0.540578
H 1.173440 4.948801 0.782417
H 1.356411 4.050332 2.319973
H 2.725771 4.995656 1.667222
H -0.067242 -0.941920 -1.860577
H 5.117818 -1.169698 0.271189
H 6.172958 -1.350769 1.702917
H -1.667708 2.258101 0.559745
H -2.507351 2.526263 -1.025485
H -4.763058 1.637102 -1.419005
H -2.638865 0.637257 2.232803
H -6.865760 0.647393 -0.476171
H -4.746702 -0.351349 3.186746
H -6.859870 -0.351084 1.828547


