%chk=000225178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225178

0 1
O -2.322962 2.735315 0.495347
O -4.352950 -1.335424 -0.322426
N 2.591910 0.191755 0.312634
N 0.375320 1.229970 0.339965
N 0.430658 -1.028673 -0.114421
N -2.053463 -1.341257 -0.244655
N -3.340006 0.706194 0.091820
C 3.277539 0.984741 -0.767599
C 3.236321 -1.148408 0.541391
C 4.743735 1.209745 -0.367227
C 4.702250 -0.935352 0.944089
C 5.458722 -0.123135 -0.113929
C 1.183746 0.107736 0.136621
C -0.957807 0.795758 0.199025
C -0.890924 -0.599449 -0.063232
C -2.184009 1.546911 0.287678
C -3.330212 -0.695212 -0.167315
C -1.979598 -2.796539 -0.519088
C -4.688896 1.333538 0.163814
H 2.762076 1.961633 -0.880315
H 3.222700 0.467909 -1.751561
H 3.163418 -1.801508 -0.356064
H 2.680667 -1.662533 1.358326
H 4.788569 1.836320 0.546833
H 5.258530 1.781234 -1.162213
H 5.185919 -1.918475 1.097215
H 4.747791 -0.411925 1.920839
H 5.536943 -0.700575 -1.055039
H 6.497637 0.060712 0.219039
H 0.645381 2.174189 0.556094
H -2.998416 -3.213426 -0.637791
H -1.474491 -3.316743 0.314105
H -1.405882 -2.981944 -1.444495
H -4.589313 2.416606 0.368198
H -5.285898 0.871078 0.968672
H -5.227903 1.197334 -0.789537


%chk=000225178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225178

0 1
O -2.258257 2.821390 -0.270308
O -4.363179 -1.371182 0.332659
N 2.558629 0.046009 -0.352109
N 0.400819 1.207260 -0.329374
N 0.423134 -1.070477 -0.100574
N -2.023688 -1.354690 0.128852
N -3.299403 0.696105 0.028027
C 3.371188 1.259521 -0.562950
C 3.274960 -1.248678 -0.440887
C 4.602451 1.267404 0.373176
C 4.493376 -1.266180 0.504417
C 5.409172 -0.046203 0.246667
C 1.188187 0.059109 -0.271865
C -0.941390 0.796428 -0.179229
C -0.877278 -0.595724 -0.044329
C -2.148312 1.557617 -0.153548
C -3.291536 -0.715799 0.172695
C -1.940575 -2.819325 0.274138
C -4.633000 1.335197 0.075583
H 2.763466 2.160884 -0.371593
H 3.708288 1.304187 -1.622253
H 3.614879 -1.402924 -1.488943
H 2.553935 -2.043443 -0.195735
H 4.258028 1.389965 1.418140
H 5.234454 2.141253 0.125280
H 5.050311 -2.210265 0.354009
H 4.139643 -1.252945 1.553423
H 5.841439 -0.118232 -0.773188
H 6.258073 -0.041332 0.954951
H 0.682737 2.173968 -0.472993
H -2.966700 -3.199873 0.382166
H -1.342499 -3.079921 1.163879
H -1.460403 -3.261376 -0.615097
H -4.479337 2.415239 -0.067039
H -5.115721 1.139026 1.047383
H -5.278790 0.926104 -0.718633


