%chk=000193207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193207

0 1
O -4.813277 3.296762 0.009567
O -3.595958 2.469031 1.730026
O -1.733348 1.790398 -2.500571
N -2.167494 1.063614 -0.381505
N -5.036831 -2.811380 0.407478
N -5.132464 -5.041934 -0.351711
N -6.664184 -4.387578 1.377829
N 4.230942 0.106048 -0.703437
N 4.732145 -0.026108 0.437200
C -4.472982 0.076494 -0.261723
C -3.612331 1.332446 -0.479802
C -4.282472 -0.593728 1.102693
C -5.320976 -1.706575 1.338360
C -3.958960 2.388230 0.581050
C -1.308144 1.334721 -1.454107
C 0.129626 1.007509 -1.190939
C 0.801126 1.547434 -0.086729
C 0.802703 0.178183 -2.100208
C 2.147400 1.245777 0.123685
C 2.148282 -0.127196 -1.900453
C -5.592990 -3.984936 0.511786
C 2.818245 0.405918 -0.782719
C -5.291215 4.382073 0.849462
C 6.146618 -0.299929 0.529076
C 7.071824 -0.125683 -0.516590
C 6.575982 -0.736079 1.797890
C 8.423382 -0.388609 -0.287454
C 7.930366 -0.998872 2.008590
C 8.852972 -0.825250 0.970578
H -5.538600 0.343433 -0.414522
H -4.240738 -0.664931 -1.059938
H -3.835054 1.759568 -1.507956
H -4.356709 0.151406 1.920953
H -3.264222 -1.028325 1.170062
H -5.270868 -2.025270 2.404053
H -6.349851 -1.312278 1.169952
H -1.840173 0.630536 0.479042
H 0.279097 2.209326 0.606969
H 0.272272 -0.217245 -2.969844
H 2.677961 1.657166 0.983976
H 2.683183 -0.767968 -2.603437
H -5.687446 5.095419 0.118729
H -4.464977 4.807530 1.429163
H -6.072123 3.994135 1.509307
H -5.878229 -5.495429 -0.873255
H -4.405677 -4.730091 -0.998412
H -6.720242 -3.879912 2.252755
H -6.747045 -5.385672 1.542725
H 6.730900 0.212750 -1.496953
H 5.850878 -0.866002 2.602926
H 9.144954 -0.253825 -1.092637
H 8.269628 -1.339077 2.986425
H 9.908992 -1.030121 1.143096


%chk=000193207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193207

0 1
O -5.191447 3.267159 0.387517
O -3.234993 2.993368 1.618861
O -1.964831 0.575670 -2.433753
N -2.197948 1.295192 -0.242895
N -4.874861 -2.514337 0.078086
N -4.559674 -4.712384 -0.687261
N -6.208596 -4.354673 0.946280
N 4.173848 -0.340354 -0.617477
N 4.785829 0.086938 0.458248
C -4.567139 0.406188 -0.308387
C -3.614457 1.637866 -0.416443
C -4.567533 -0.280611 1.071158
C -5.426447 -1.564904 1.063099
C -3.954699 2.692577 0.634033
C -1.446952 0.801384 -1.290605
C 0.016127 0.542897 -1.022615
C 0.707380 1.001614 0.135748
C 0.731533 -0.183248 -2.008645
C 2.074410 0.733882 0.310577
C 2.099739 -0.458822 -1.839779
C -5.221815 -3.778354 0.126536
C 2.782106 -0.005636 -0.679841
C -5.643798 4.279205 1.375846
C 6.179468 -0.242804 0.521999
C 6.893690 -0.965834 -0.476537
C 6.851329 0.210564 1.688086
C 8.264671 -1.224839 -0.296404
C 8.226090 -0.054010 1.860744
C 8.935722 -0.771886 0.869442
H -5.589135 0.746606 -0.564794
H -4.255604 -0.328101 -1.070763
H -3.747977 2.068299 -1.426893
H -4.955074 0.405856 1.852474
H -3.533298 -0.558011 1.350516
H -5.451089 -1.985408 2.098666
H -6.474996 -1.284301 0.802778
H -1.792201 1.500893 0.673000
H 0.193127 1.593540 0.902217
H 0.184609 -0.510637 -2.898171
H 2.618092 1.086107 1.191992
H 2.667070 -1.020381 -2.588877
H -6.631869 4.596847 1.016031
H -4.936957 5.125064 1.401659
H -5.708458 3.828269 2.380138
H -5.088393 -5.487087 -1.086501
H -3.804319 -4.320706 -1.248599
H -6.805170 -3.750579 1.503827
H -6.156810 -5.339788 1.196368
H 6.355238 -1.304677 -1.366810
H 6.274198 0.764028 2.436232
H 8.819917 -1.779894 -1.060952
H 8.742393 0.296588 2.760810
H 10.003851 -0.978435 1.000539


