%chk=000218467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218467

0 1
O 3.421772 -1.635444 -0.017226
O -1.047084 -2.680227 0.392026
N -0.551311 -0.443675 0.124465
N 0.359040 1.895959 -0.010383
N 1.196821 -2.147538 0.183696
C 0.473273 0.513954 0.026514
C 1.841154 0.167817 -0.015013
C 2.594824 1.394523 -0.087758
C 1.680566 2.443117 -0.083452
C 2.292038 -1.197303 0.037479
C -0.181991 -1.840153 0.244314
C -1.948010 -0.060311 0.037094
C 4.065636 1.481088 -0.151753
C 1.877921 3.903886 -0.139656
C 1.533734 -3.594350 0.301424
C -2.372968 0.765177 -1.017671
C -2.851218 -0.518805 1.009003
C -3.713130 1.154066 -1.074038
C -4.188719 -0.124067 0.929069
C -4.619487 0.717294 -0.102087
H -0.491138 2.429899 0.025121
H 4.525354 0.473472 -0.143042
H 4.406778 1.980180 -1.069607
H 4.481074 2.029881 0.705136
H 2.950584 4.151940 -0.192176
H 1.404028 4.352441 -1.025289
H 1.478154 4.410141 0.751676
H 2.577678 -3.759703 -0.027640
H 0.859261 -4.203534 -0.324844
H 1.437239 -3.928915 1.347712
H -1.680380 1.071855 -1.799971
H -2.516290 -1.197454 1.796413
H -4.054709 1.793040 -1.888388
H -4.899474 -0.479533 1.675966
H -5.663322 1.022881 -0.154714


%chk=000218467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218467

0 1
O 3.484676 -1.663233 0.025170
O -1.076943 -2.757852 0.324110
N -0.532192 -0.481045 0.092845
N 0.366463 1.832334 -0.035748
N 1.185836 -2.172330 0.170146
C 0.495535 0.460672 -0.000592
C 1.864762 0.142646 -0.025166
C 2.606534 1.390661 -0.085058
C 1.661674 2.420209 -0.089574
C 2.289720 -1.238915 0.045829
C -0.192636 -1.864280 0.207641
C -1.923210 -0.077054 0.039374
C 4.109185 1.530925 -0.129943
C 1.830146 3.910199 -0.142770
C 1.508626 -3.614874 0.269820
C -2.370654 0.720163 -1.043140
C -2.820452 -0.469414 1.059468
C -3.717110 1.145459 -1.088559
C -4.166598 -0.050013 0.997837
C -4.617762 0.763556 -0.067972
H -0.514051 2.345026 -0.008625
H 4.576898 0.534109 -0.096694
H 4.446593 2.035684 -1.054864
H 4.492449 2.117672 0.726060
H 2.903291 4.160117 -0.168789
H 1.365306 4.356190 -1.044038
H 1.394682 4.415478 0.741662
H 2.602679 -3.704481 0.204169
H 1.022177 -4.169260 -0.549193
H 1.144215 -4.021933 1.227481
H -1.681773 0.970652 -1.857336
H -2.469266 -1.109080 1.872763
H -4.063850 1.756398 -1.929023
H -4.863875 -0.359698 1.783440
H -5.663375 1.086910 -0.108329


