%chk=000181955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181955

0 1
O 0.115319 -1.673482 1.172410
O -1.795455 2.681240 1.007904
N 1.347471 0.195896 0.343160
N 2.630148 1.916964 -0.487397
N 0.350803 2.429859 0.260703
C 2.608837 -0.360901 -0.019552
C 1.355791 1.630468 0.045742
C 3.401668 0.724917 -0.535849
C -0.919170 0.458260 1.114232
C 0.155786 -0.349887 0.879140
C -2.204532 -0.092940 1.654256
C 3.116137 -1.651876 0.050609
C -0.883005 1.914082 0.816217
C 4.702337 0.507546 -0.978987
C -3.131575 -0.492214 0.532172
C 4.428007 -1.855710 -0.399645
C 5.200560 -0.800433 -0.901691
C -3.273933 -1.840266 0.175030
C -3.855643 0.492374 -0.158181
C -4.143400 -2.200371 -0.859255
C -4.721035 0.126930 -1.190780
C -4.868837 -1.219870 -1.542113
H 2.922624 2.835449 -0.788099
H -2.696190 0.678634 2.293458
H -2.002444 -0.953215 2.327714
H 2.520094 -2.477270 0.439812
H 5.312232 1.318427 -1.371166
H 4.853831 -2.859112 -0.357091
H 6.218304 -0.998850 -1.242887
H -2.706611 -2.605891 0.699396
H -3.729859 1.544518 0.112845
H 0.949353 -2.168856 0.932267
H -4.254903 -3.247568 -1.132264
H -5.281687 0.892985 -1.723744
H -5.545925 -1.501737 -2.344671


%chk=000181955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181955

0 1
O -0.185438 -1.382356 0.295381
O -1.410766 3.017982 2.008433
N 1.295519 0.405794 0.355008
N 2.914357 1.962186 0.307017
N 0.762794 2.645918 1.193672
C 2.443764 -0.219018 -0.200804
C 1.583393 1.763282 0.671589
C 3.465827 0.781654 -0.225151
C -0.921519 0.800492 1.203011
C 0.005926 -0.053350 0.633999
C -2.316077 0.324471 1.583415
C 2.683287 -1.523830 -0.665546
C -0.564903 2.217943 1.500513
C 4.750789 0.498234 -0.718455
C -3.029333 -0.488308 0.504464
C 3.978758 -1.806236 -1.162462
C 4.993084 -0.814893 -1.188980
C -3.442182 -1.826874 0.745124
C -3.301713 0.086722 -0.767680
C -4.111663 -2.572403 -0.256433
C -3.969306 -0.653921 -1.765278
C -4.375538 -1.987915 -1.514532
H 3.374081 2.860958 0.431698
H -2.885055 1.243219 1.824432
H -2.267771 -0.265620 2.520647
H 1.897656 -2.280221 -0.637738
H 5.536351 1.259806 -0.739116
H 4.199264 -2.812722 -1.532386
H 5.984215 -1.067759 -1.579636
H -3.262294 -2.277121 1.730089
H -2.989799 1.119611 -0.962286
H -1.161526 -1.601999 0.310461
H -4.426978 -3.601291 -0.050300
H -4.177555 -0.193587 -2.737649
H -4.894551 -2.560746 -2.290829


