%chk=000269742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269742

0 1
O 4.805645 -0.055042 -0.001879
O -6.772158 2.437715 0.020837
O -4.691883 3.009552 0.024134
O -6.725010 -3.718687 -0.023409
O -8.184252 -2.120237 -0.011294
N -2.808174 1.240772 0.010589
N -1.501436 0.781880 0.006744
N -5.588493 2.159577 0.018369
N -7.038319 -2.539106 -0.014793
C 5.943305 0.872958 0.003821
C 7.136546 -0.040463 -0.002756
C -3.833176 0.317470 0.004380
C 3.542937 0.466600 0.002281
C -5.199999 0.758820 0.008134
C 0.858338 1.227915 0.008885
C -3.575911 -1.095132 -0.005894
C -6.243258 -0.194367 0.001725
C -5.953407 -1.550131 -0.008149
C 3.219558 1.832594 0.012042
C 2.539302 -0.529779 -0.004296
C 1.874117 2.200045 0.015258
C 1.209423 -0.142082 -0.000947
C -4.600204 -2.002850 -0.011986
C 7.689939 -0.480463 1.208655
C 7.695183 -0.456293 -1.220276
C -0.540878 1.670920 0.012672
C 8.807336 -1.319844 1.199510
C 8.812608 -1.295687 -1.222992
C 9.370706 -1.725796 -0.014689
H 5.880786 1.495420 0.914074
H 5.879864 1.507603 -0.897899
H -2.533134 -1.433007 -0.008772
H -7.293221 0.153199 0.004672
H 3.987426 2.598777 0.017070
H 2.832094 -1.578886 -0.011855
H 1.616261 3.260686 0.022851
H 0.421265 -0.900312 -0.005941
H -4.409144 -3.084769 -0.019852
H 7.246087 -0.176698 2.155761
H 7.255511 -0.133729 -2.163096
H -3.032597 2.267776 0.018093
H -0.688276 2.765996 0.020549
H 9.237255 -1.660999 2.140281
H 9.246649 -1.618019 -2.168495
H 10.241586 -2.379797 -0.019316


%chk=000269742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269742

0 1
O 4.874503 -0.234305 -0.004919
O -6.770742 2.678549 0.032323
O -4.527983 3.081986 0.032761
O -7.178011 -3.585671 -0.027911
O -8.570750 -1.772586 -0.008266
N -2.840726 1.098014 0.010404
N -1.565483 0.551916 0.003959
N -5.554559 2.255914 0.026156
N -7.394022 -2.308587 -0.015492
C 5.986225 0.764018 0.001071
C 7.290341 0.005832 -0.002710
C -3.947598 0.281565 0.004369
C 3.567664 0.251759 -0.001101
C -5.290805 0.819467 0.011677
C 0.824557 1.000055 0.005635
C -3.803302 -1.146214 -0.009674
C -6.416339 -0.033171 0.005117
C -6.221412 -1.418448 -0.008653
C 3.211941 1.626747 0.008461
C 2.552269 -0.747747 -0.007298
C 1.850032 1.984796 0.011761
C 1.204058 -0.378828 -0.004041
C -4.913340 -1.984036 -0.016132
C 7.908056 -0.364924 1.217824
C 7.910075 -0.349693 -1.226745
C -0.569407 1.424413 0.009814
C 9.125024 -1.081847 1.216272
C 9.127081 -1.066554 -1.232042
C 9.737099 -1.433128 -0.009615
H 5.886246 1.393119 0.907539
H 5.886951 1.403451 -0.898212
H -2.787959 -1.546018 -0.015115
H -7.423088 0.392117 0.010801
H 3.974062 2.410635 0.013435
H 2.859358 -1.797805 -0.014540
H 1.577165 3.047457 0.019296
H 0.419933 -1.141901 -0.008671
H -4.807901 -3.071928 -0.026882
H 7.432509 -0.096195 2.168895
H 7.436112 -0.069154 -2.175189
H -3.040327 2.122205 0.020122
H -0.757295 2.516106 0.019030
H 9.595151 -1.363818 2.164643
H 9.598834 -1.336654 -2.183061
H 10.682596 -1.986808 -0.012299


