%chk=000186667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186667

0 1
O -5.070786 1.118479 -1.660805
N -4.612558 -0.361554 0.024027
N 1.022381 0.039978 -0.557176
N 1.801015 -0.158777 0.410179
N 7.396293 0.268809 -0.122671
C -3.181470 -0.241892 -0.089958
C -2.585119 -0.032224 -1.349695
C -2.375827 -0.345142 1.062415
C -0.392435 -0.069901 -0.308768
C -1.201063 0.056158 -1.457110
C -0.990054 -0.264934 0.950031
C -5.135662 -1.271177 1.073830
C -5.499460 0.403300 -0.774324
C 3.210855 -0.045497 0.169645
C -6.966870 0.283313 -0.473961
C 6.000804 0.111626 -0.039430
C 4.021229 -0.324687 1.291473
C 3.809380 0.315816 -1.055862
C 5.404704 -0.253083 1.190933
C 5.191425 0.391481 -1.165997
H -3.209526 0.085863 -2.240747
H -2.822456 -0.468842 2.046250
H -0.735459 0.222430 -2.431267
H -0.363140 -0.346532 1.840868
H -4.378216 -2.024242 1.356123
H -6.011321 -1.831954 0.705478
H -5.425210 -0.713392 1.980188
H -7.209665 0.552193 0.562031
H -7.353239 -0.725716 -0.667920
H -7.530409 0.972959 -1.126417
H 3.551760 -0.599851 2.238852
H 3.176491 0.535243 -1.920188
H 6.023531 -0.462129 2.059106
H 5.646056 0.678643 -2.110275
H 7.814339 0.260642 -1.039782
H 7.961182 -0.184009 0.578423


%chk=000186667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186667

0 1
O -5.215783 1.063726 -1.786443
N -4.630380 -0.338000 0.013837
N 1.044632 0.050580 -0.629617
N 1.793638 -0.180151 0.427184
N 7.418807 0.149590 -0.126271
C -3.203433 -0.210542 -0.149126
C -2.601033 0.090539 -1.404047
C -2.356105 -0.421500 0.981463
C -0.359334 -0.053410 -0.388541
C -1.201014 0.164407 -1.510640
C -0.960311 -0.345297 0.868039
C -5.102652 -1.159479 1.153338
C -5.561923 0.344800 -0.802509
C 3.192144 -0.076892 0.203059
C -7.043721 0.189908 -0.449777
C 6.034274 0.074433 -0.013396
C 4.022558 -0.326199 1.331238
C 3.807060 0.251497 -1.043749
C 5.419895 -0.253706 1.232758
C 5.199826 0.325655 -1.150109
H -3.229133 0.279052 -2.273342
H -2.789587 -0.624316 1.965611
H -0.729457 0.389876 -2.472924
H -0.313050 -0.499597 1.736610
H -4.429076 -2.021554 1.285378
H -6.109419 -1.549443 0.951768
H -5.133927 -0.585388 2.099863
H -7.260455 0.428481 0.606500
H -7.409235 -0.834352 -0.653097
H -7.597641 0.886972 -1.095281
H 3.536784 -0.576195 2.280518
H 3.161431 0.442399 -1.906645
H 6.045550 -0.448418 2.112208
H 5.665561 0.578616 -2.111144
H 7.857733 0.388041 -1.011374
H 8.018273 -0.022736 0.676158


