%chk=000198873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198873

1 1
O 0.998767 1.423913 -0.535244
O 3.971453 -0.287495 0.121524
N 0.530549 0.157069 -0.097245
N 2.412031 1.401635 -0.376455
C 1.515409 -0.654975 0.229405
C -0.907948 0.083127 -0.068649
C 2.850081 0.070116 -0.029385
C 1.438268 -2.021961 0.735824
C -1.541881 -0.992234 -0.720996
C -1.631335 1.085863 0.600826
C -2.932929 -1.065617 -0.668663
C -3.023891 0.986635 0.634960
C -3.672491 -0.082379 0.005738
H 1.796351 -2.764938 -0.010771
H 0.427525 -2.340995 1.050872
H 2.105130 -2.167122 1.618009
H -0.970365 -1.748825 -1.261787
H -1.122489 1.923327 1.087709
H 2.819007 1.957020 -1.143090
H -3.452616 -1.894193 -1.163388
H -3.609474 1.753093 1.156164
H -4.766852 -0.150666 0.035840


%chk=000198873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198873

1 1
O 1.005560 1.482418 -0.602146
O 3.984076 -0.419016 0.026697
N 0.512757 0.165740 -0.086323
N 2.433306 1.297837 -0.559892
C 1.516646 -0.650593 0.189817
C -0.912308 0.079379 -0.059128
C 2.830366 0.027772 -0.115241
C 1.427326 -2.012093 0.776073
C -1.539235 -1.012027 -0.715948
C -1.648245 1.090901 0.609750
C -2.944140 -1.098746 -0.669990
C -3.052495 0.987770 0.631622
C -3.698706 -0.103546 -0.000729
H 1.669094 -2.767703 0.002461
H 0.437199 -2.236738 1.199866
H 2.211229 -2.114552 1.548361
H -0.949853 -1.754585 -1.263628
H -1.136006 1.923387 1.101381
H 2.968426 2.136376 -0.808856
H -3.450292 -1.929923 -1.169325
H -3.641963 1.753077 1.144303
H -4.790444 -0.174737 0.022074


