%chk=000099708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000099708

0 1
O 0.195943 -1.591132 -1.665059
N 2.160960 -2.044234 0.487918
C 1.023356 -1.087771 0.587095
C -0.195529 -1.535305 -0.290383
C 1.482230 0.305424 0.188441
C -1.419108 -0.673322 -0.070080
C 2.489841 0.521471 -0.761511
C 0.854172 1.410822 0.787832
C -2.031976 -0.664290 1.193092
C -1.961229 0.094253 -1.108055
C 1.937702 -3.292369 1.267881
C 2.863829 1.824463 -1.107166
C 1.228326 2.709353 0.437555
C -3.166331 0.119715 1.414851
C -3.096967 0.878072 -0.881894
C 2.234176 2.920255 -0.512003
C -3.699363 0.895054 0.379124
H 0.689201 -1.054418 1.660219
H -0.447541 -2.607484 -0.090594
H 2.319822 -2.284897 -0.501088
H 3.006813 -0.320364 -1.220840
H 0.065713 1.258388 1.524321
H -1.630495 -1.270609 2.002548
H -1.504715 0.070289 -2.097769
H 1.067838 -3.890434 0.958248
H 1.832883 -3.050324 2.338173
H 2.838857 -3.922457 1.170507
H 0.497963 -0.707217 -1.978501
H 3.652873 1.982222 -1.840699
H 0.735907 3.559862 0.906148
H -3.638559 0.125307 2.395921
H -3.512699 1.474453 -1.692744
H 2.526379 3.932614 -0.782047
H -4.582572 1.506008 0.554459


%chk=000099708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099708

0 1
O 0.216676 -1.415453 -1.777587
N 2.087186 -2.092230 0.443912
C 1.032741 -1.062511 0.542252
C -0.206493 -1.463104 -0.371012
C 1.540504 0.334760 0.166346
C -1.485100 -0.677071 -0.090197
C 2.671974 0.501683 -0.672898
C 0.857998 1.492183 0.625402
C -2.115520 -0.803913 1.175999
C -2.070749 0.168934 -1.061279
C 1.912548 -3.256214 1.332903
C 3.104831 1.793615 -1.053437
C 1.293450 2.782976 0.252346
C -3.293754 -0.084819 1.471252
C -3.249094 0.893263 -0.766856
C 2.415845 2.939097 -0.594370
C -3.862902 0.773894 0.500536
H 0.682767 -1.039719 1.591391
H -0.398493 -2.538199 -0.191481
H 2.217840 -2.374750 -0.538001
H 3.244548 -0.379208 -0.979584
H -0.016141 1.383622 1.277343
H -1.690282 -1.476201 1.932970
H -1.616752 0.239492 -2.055041
H 0.934791 -3.788310 1.226012
H 2.008063 -2.937653 2.387222
H 2.714030 -3.989119 1.133795
H 0.628327 -0.524597 -1.945187
H 3.984366 1.904269 -1.698007
H 0.758608 3.664476 0.623464
H -3.770275 -0.196269 2.451974
H -3.690743 1.544746 -1.529591
H 2.754302 3.940358 -0.883823
H -4.777401 1.333368 0.727130


