%chk=000201890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201890

0 1
O -1.563186 1.955726 -0.771312
N 2.832592 -0.278993 -0.136617
N -0.703921 -0.328009 1.248066
N -2.778232 -1.078710 0.356807
C 1.346975 -0.131384 -0.238558
C 0.781819 -0.350861 1.184336
C 3.259011 -1.683102 -0.456915
C 3.557538 0.721555 -0.988070
C -1.323275 1.006277 1.469404
C -1.436092 -1.324660 0.573521
C 4.644383 -1.953555 0.132298
C 3.413961 2.122948 -0.393784
C -0.933508 2.045824 0.480668
C -0.852225 -2.577421 0.235123
C -0.090003 3.130019 0.508269
C -1.661187 -3.564109 -0.318362
C -0.181407 3.763132 -0.783937
C -1.072755 3.028333 -1.521261
C -3.533353 -2.064522 -0.181984
C -3.021231 -3.320141 -0.540166
H 0.877831 -0.829556 -0.962598
H 1.075556 0.888560 -0.592507
H 1.182890 0.431892 1.867086
H 1.134870 -1.322877 1.599210
H 2.527968 -2.385930 0.001047
H 3.258990 -1.894566 -1.548191
H 4.635284 0.440451 -1.001743
H 3.213349 0.715952 -2.044817
H -1.031843 1.340121 2.495972
H -2.444229 0.903529 1.478951
H 5.426206 -1.377116 -0.375275
H 4.679982 -1.670465 1.193377
H 4.904630 -3.013860 0.056320
H 2.381073 2.490928 -0.453910
H 3.693445 2.127995 0.668029
H 4.056027 2.838843 -0.915784
H 0.198986 -2.769983 0.420950
H 0.526389 3.464530 1.318923
H -1.232692 -4.532105 -0.580624
H 0.354522 4.643471 -1.080070
H -1.480024 3.071655 -2.505882
H -4.592112 -1.817358 -0.329831
H -3.662597 -4.077757 -0.974557


%chk=000201890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201890

0 1
O -1.333741 2.181062 -0.935220
N 2.889985 -0.271788 -0.270394
N -0.768698 -0.303586 0.852191
N -2.898165 -1.259436 0.489682
C 1.420263 -0.144340 -0.426445
C 0.701321 -0.359288 0.933718
C 3.362268 -1.677634 -0.390608
C 3.660349 0.682377 -1.113327
C -1.441228 0.960111 1.234298
C -1.530273 -1.407088 0.466102
C 4.679629 -1.940703 0.364087
C 3.623758 2.122798 -0.567841
C -1.004381 2.154358 0.441110
C -0.929491 -2.650043 0.073803
C -0.330034 3.322588 0.765984
C -1.763376 -3.727434 -0.269948
C -0.226470 4.118496 -0.442001
C -0.839945 3.394340 -1.449099
C -3.678951 -2.316354 0.143508
C -3.172778 -3.576647 -0.239466
H 1.014143 -0.855290 -1.184780
H 1.177032 0.868737 -0.788227
H 1.043259 0.432275 1.623620
H 1.017287 -1.321884 1.380123
H 2.579524 -2.333606 0.036659
H 3.471940 -1.981042 -1.463264
H 4.711264 0.340497 -1.134049
H 3.302580 0.669663 -2.173853
H -1.246524 1.182780 2.302668
H -2.523248 0.772093 1.111435
H 5.510985 -1.330332 -0.032660
H 4.559207 -1.694871 1.433520
H 4.972726 -3.003457 0.272762
H 2.593255 2.519782 -0.522653
H 4.045396 2.151850 0.452218
H 4.214990 2.796696 -1.216356
H 0.156036 -2.766849 0.030381
H 0.048228 3.585677 1.752382
H -1.314994 -4.681659 -0.569240
H 0.240857 5.096117 -0.543720
H -1.016487 3.562844 -2.507730
H -4.759741 -2.132255 0.177939
H -3.847351 -4.394857 -0.505707


