%chk=000273363.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273363

0 1
O -2.763338 0.052599 1.622998
O 2.127653 -0.953380 -0.314777
O -2.840724 2.904305 -2.335359
O 0.512737 2.229506 0.756870
O -4.711602 2.724061 -1.114476
O 0.399686 -0.312012 -1.699149
O -0.518703 3.537629 2.294989
N -2.012992 0.926697 -0.354753
N 0.013029 -1.269273 0.389217
C -1.445510 -1.428495 0.191071
C -2.001322 -2.562397 1.067142
C -2.126261 -0.093054 0.598809
C -2.524804 2.274129 -0.047159
C -1.391320 -3.892846 0.727384
C -1.412562 3.331053 0.024094
C -0.486064 -4.498760 1.610935
C -1.727599 -4.536747 -0.473612
C -3.512500 2.643586 -1.164365
C 0.798897 -0.800736 -0.656123
C 0.079406 -5.737010 1.292306
C -1.157872 -5.773133 -0.786980
C -0.476979 3.082170 1.180090
C -0.252887 -6.375218 0.093718
C 3.114788 -0.503327 -1.304079
C 3.427967 0.947306 -1.085981
C 2.606643 1.930918 -1.657196
C 4.540961 1.323002 -0.320172
C 2.905858 3.282844 -1.471045
C 4.834814 2.676949 -0.135628
C 1.549579 1.875672 1.713014
C 4.019752 3.656812 -0.711862
H -1.662757 -1.640883 -0.894958
H -1.871216 -2.312608 2.144798
H -3.108812 -2.603166 0.946607
H -3.104094 2.244307 0.930672
H -1.325760 0.861217 -1.123874
H 0.439642 -1.711450 1.202367
H -0.840837 3.355466 -0.934968
H -1.854368 4.346837 0.138497
H -0.228197 -4.014858 2.550716
H -2.435284 -4.077627 -1.161187
H 0.780104 -6.205668 1.982140
H -1.421030 -6.270218 -1.719938
H 0.188780 -7.338808 -0.152632
H 3.957400 -1.182307 -1.070214
H 2.727941 -0.709845 -2.320916
H -3.453012 3.112528 -3.093033
H 1.724443 1.632362 -2.231376
H 5.177553 0.563989 0.131718
H 2.269239 4.045497 -1.916494
H 5.701074 2.968662 0.455970
H 1.983869 0.969069 1.268620
H 1.116269 1.690401 2.700503
H 2.276611 2.693041 1.744995
H 4.252509 4.711113 -0.569234


%chk=000273363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273363

0 1
O -3.108501 -0.174949 1.431176
O 2.064888 -1.104906 -0.596373
O -4.245272 1.275467 -1.705874
O 0.533450 3.761963 0.893342
O -4.166671 3.573685 -1.412887
O 0.242623 -0.183956 -1.783398
O -1.197804 3.070320 2.291624
N -1.956377 0.855982 -0.316242
N -0.047924 -1.414134 0.188387
C -1.520499 -1.536907 0.094872
C -2.010150 -2.703747 0.986878
C -2.268369 -0.223643 0.484298
C -2.601355 2.151524 -0.125663
C -1.368493 -4.038702 0.637439
C -1.589919 3.320832 -0.133973
C -0.477275 -4.672150 1.540633
C -1.642972 -4.678103 -0.600295
C -3.723242 2.435868 -1.138237
C 0.708355 -0.847514 -0.802466
C 0.130982 -5.907532 1.217136
C -1.039227 -5.911296 -0.927851
C -0.775618 3.350977 1.148173
C -0.146537 -6.530205 -0.020358
C 3.010882 -0.535749 -1.621851
C 3.606975 0.779771 -1.173903
C 2.913887 1.996841 -1.400881
C 4.873992 0.814652 -0.537723
C 3.478178 3.226522 -0.997226
C 5.442309 2.044146 -0.136147
C 1.420277 3.856425 2.081826
C 4.745536 3.253481 -0.367819
H -1.765553 -1.744032 -0.966686
H -1.825716 -2.440340 2.044247
H -3.108110 -2.749452 0.879959
H -3.091723 2.109003 0.871365
H -1.281902 0.710539 -1.088381
H 0.441194 -1.944862 0.912555
H -0.915009 3.269649 -1.004969
H -2.155746 4.268554 -0.212638
H -0.271789 -4.204364 2.512443
H -2.340881 -4.211953 -1.307672
H 0.814170 -6.382751 1.930069
H -1.266280 -6.392435 -1.885955
H 0.320900 -7.488212 -0.273699
H 3.776178 -1.322521 -1.711934
H 2.449788 -0.430743 -2.566074
H -5.004830 1.521512 -2.301479
H 1.932912 1.971696 -1.888713
H 5.416128 -0.122340 -0.359562
H 2.930629 4.158462 -1.174779
H 6.424838 2.060921 0.348507
H 2.432413 3.960584 1.668082
H 1.331412 2.944929 2.695102
H 1.139512 4.734335 2.687951
H 5.190133 4.208759 -0.065660


