%chk=000212783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212783

0 1
O 0.990943 0.851570 1.644019
O -1.805031 -1.074206 -1.931168
N 2.331444 -1.531851 -0.558825
N 2.480277 -0.576278 0.512004
N -1.178253 -0.675532 0.246765
N -7.375856 0.922305 0.598179
C 0.909156 -1.807837 -0.650820
C 0.210156 -0.894124 0.100731
C 1.169402 -0.041713 0.851581
C 3.666604 0.249698 0.509676
C 3.215536 -2.718824 -0.368113
C 0.414769 -2.880009 -1.527741
C 3.928514 0.987692 1.680591
C 4.549611 0.298919 -0.581824
C -2.100589 -0.681178 -0.814126
C -3.468605 -0.238085 -0.424658
C 5.090881 1.754791 1.754052
C 5.711383 1.068449 -0.482885
C 5.988179 1.792180 0.680415
C -4.562525 -1.034131 -0.805620
C -3.688215 0.970930 0.253898
C -5.860281 -0.648373 -0.493342
C -4.978740 1.378384 0.570503
C -6.077202 0.563023 0.206043
H 4.260488 -2.387395 -0.227102
H 3.175852 -3.329611 -1.285649
H 2.943141 -3.345345 0.496463
H 1.177467 -3.302927 -2.193093
H -0.399132 -2.483899 -2.186212
H -0.037915 -3.699949 -0.949546
H -1.448953 -0.303381 1.161601
H 3.217359 0.972555 2.510073
H 4.326273 -0.237115 -1.503442
H 5.298117 2.329989 2.656307
H 6.401192 1.108571 -1.325246
H 6.894405 2.389529 0.749053
H -4.384179 -1.960682 -1.357773
H -2.842647 1.607553 0.525512
H -6.699416 -1.275624 -0.780303
H -5.139888 2.313119 1.100268
H -8.152402 0.487000 0.126202
H -7.545419 1.880311 0.860553


%chk=000212783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212783

0 1
O 0.798625 1.112261 1.180020
O -2.198237 -2.036284 -1.488052
N 2.363959 -1.561493 -0.578962
N 2.433524 -0.414927 0.280053
N -1.130885 -0.497379 -0.087060
N -7.410727 1.216721 0.523417
C 0.980857 -1.843447 -0.801183
C 0.224335 -0.856146 -0.179654
C 1.124321 0.066781 0.527707
C 3.649403 0.319660 0.425520
C 3.276943 -2.674752 -0.211454
C 0.620705 -3.073846 -1.581411
C 3.830326 1.129445 1.575729
C 4.655098 0.258030 -0.573553
C -2.262331 -1.054422 -0.674497
C -3.568292 -0.421935 -0.307928
C 5.024755 1.865672 1.720885
C 5.851284 0.986847 -0.403834
C 6.044240 1.791862 0.742626
C -4.714965 -0.825271 -1.045224
C -3.747300 0.537907 0.727438
C -5.983264 -0.291362 -0.779826
C -5.012632 1.079817 1.006677
C -6.156130 0.678641 0.253225
H 4.311998 -2.304105 -0.164286
H 3.214618 -3.442735 -0.996802
H 3.006479 -3.122336 0.765710
H 1.227503 -3.148169 -2.502761
H -0.446956 -3.021885 -1.844753
H 0.784874 -3.996142 -0.989882
H -1.237207 0.355788 0.478247
H 3.034715 1.189999 2.321858
H 4.478987 -0.325411 -1.483061
H 5.159880 2.495853 2.606720
H 6.625326 0.937933 -1.177758
H 6.971815 2.360559 0.867899
H -4.573668 -1.573691 -1.831914
H -2.908922 0.866645 1.353892
H -6.850062 -0.617650 -1.367498
H -5.125059 1.813671 1.813853
H -8.226403 0.928601 -0.009314
H -7.535626 1.909194 1.256193


