%chk=000194205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194205

0 1
O -0.189795 1.054524 -0.046875
O -1.333547 -1.381860 -0.405626
O 1.221309 2.641226 0.783177
O -2.090507 -0.628585 1.604980
O 6.372415 -0.428166 -0.279859
N 5.013347 -1.704538 -1.674710
C -1.175180 3.182260 0.360669
C -3.683626 -1.032347 -0.267111
C -2.021416 2.744936 1.561220
C -0.765815 4.654622 0.479982
C -1.902007 2.931363 -0.962696
C -4.033520 -2.514549 -0.438201
C -4.724527 -0.318799 0.602814
C -3.533907 -0.332397 -1.621076
C 0.119811 2.341835 0.415839
C -2.331291 -0.957839 0.474926
C 0.656400 -0.035174 0.090703
C 2.763847 -1.173451 0.405503
C 0.010988 -1.288887 -0.045660
C 4.243902 -1.115761 0.634574
C 2.030377 0.022694 0.314077
C 2.118136 -2.410968 0.273087
C 0.737918 -2.474114 0.053381
C 5.005388 -0.659418 -0.628699
H -3.004181 3.227659 1.551621
H -1.544494 2.999340 2.516128
H -2.187814 1.654064 1.571940
H -0.181420 4.990571 -0.385001
H -1.645689 5.303109 0.556358
H -0.146205 4.834248 1.369829
H -2.215636 1.874526 -1.060147
H -1.268368 3.158648 -1.827745
H -2.801316 3.552348 -1.041672
H -4.975593 -2.635877 -0.985700
H -4.149962 -3.023187 0.526193
H -3.256437 -3.047034 -1.003335
H -4.765133 -0.741534 1.616069
H -5.726932 -0.404101 0.169081
H -4.501456 0.749244 0.713829
H -2.817830 -0.862093 -2.266090
H -4.488865 -0.280475 -2.153348
H -3.153505 0.697766 -1.505919
H 4.643600 -2.088618 0.986877
H 4.486320 -0.406184 1.458125
H 2.528645 0.989884 0.436047
H 2.686346 -3.336391 0.354614
H 0.225878 -3.430681 -0.044514
H 4.672784 0.350955 -0.971617
H 5.067872 -1.324918 -2.612734
H 4.231955 -2.347677 -1.623432
H 6.893641 -1.262202 -0.306977


%chk=000194205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194205

0 1
O -0.211328 1.093132 0.063067
O -1.391040 -1.333561 -0.510907
O 1.320807 2.744366 0.741135
O -2.097961 -0.724229 1.636198
O 6.507779 -0.521031 -0.091325
N 4.997170 -1.558953 -1.625159
C -1.035482 3.364409 0.227096
C -3.789344 -1.203973 -0.138484
C -2.109809 2.966207 1.283575
C -0.560109 4.816285 0.474965
C -1.619912 3.229350 -1.208268
C -3.970343 -2.696036 -0.550917
C -4.838441 -0.814033 0.930066
C -3.931658 -0.296620 -1.393318
C 0.170801 2.422681 0.382558
C -2.385682 -1.036626 0.467330
C 0.634749 -0.042931 0.134462
C 2.759162 -1.242883 0.428625
C -0.015017 -1.275658 -0.143867
C 4.252925 -1.207879 0.706545
C 2.017367 -0.032610 0.425666
C 2.096871 -2.461582 0.140087
C 0.713793 -2.475429 -0.142830
C 5.095191 -0.660845 -0.482129
H -2.993112 3.620451 1.165222
H -1.722670 3.094888 2.310523
H -2.421930 1.915511 1.168425
H 0.206662 5.118665 -0.259556
H -1.420835 5.503714 0.387555
H -0.121434 4.926942 1.481271
H -1.940538 2.195309 -1.414462
H -0.875449 3.521316 -1.971535
H -2.492756 3.900287 -1.309472
H -4.988348 -2.839992 -0.956780
H -3.850099 -3.369233 0.317472
H -3.238366 -2.984617 -1.323805
H -4.745751 -1.444345 1.831136
H -5.853940 -0.939718 0.512829
H -4.716944 0.237407 1.245382
H -3.170474 -0.544077 -2.151718
H -4.934076 -0.442219 -1.836144
H -3.828620 0.771045 -1.127504
H 4.626964 -2.221472 0.946894
H 4.478868 -0.557283 1.569287
H 2.508028 0.913395 0.658786
H 2.655608 -3.404535 0.157907
H 0.184522 -3.408729 -0.358096
H 4.800318 0.387729 -0.694470
H 5.331255 -1.177300 -2.513056
H 4.124425 -2.086532 -1.703852
H 6.903106 -1.430164 -0.163514


