%chk=000217799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217799

0 1
O 1.025745 -0.186075 1.466413
O -1.763024 3.266521 1.105054
N 2.323718 -0.718825 -0.326311
N -1.310020 1.931425 -0.775554
N -2.601509 1.395377 -0.893129
C 1.037907 1.444545 -0.311311
C -0.132533 1.146826 -1.283124
C 0.502224 2.453053 0.715892
C 2.857709 -1.911729 0.397380
C 3.191872 -0.275695 -1.449341
C 1.479592 0.150173 0.381890
C 4.292608 -1.673055 0.892990
C 4.629523 0.000596 -0.974866
C 5.210918 -1.220845 -0.249676
C -0.988232 2.610746 0.463023
C -2.866373 0.052961 -0.446062
C -3.957370 -0.621708 -1.033914
C -2.151300 -0.542411 0.608561
C -4.331706 -1.874346 -0.547467
C -2.539381 -1.799629 1.074458
C -3.624513 -2.470846 0.501623
H 1.892126 1.894879 -0.869147
H 0.097782 1.516590 -2.304080
H -0.344953 0.060036 -1.366130
H 1.012354 3.430459 0.653308
H 0.648052 2.096139 1.763043
H 2.818130 -2.775241 -0.301400
H 2.183463 -2.148347 1.255401
H 2.764701 0.623376 -1.942077
H 3.190159 -1.087815 -2.213415
H 4.683552 -2.598467 1.356212
H 4.286476 -0.911495 1.698304
H 4.644540 0.878141 -0.299826
H 5.263528 0.268527 -1.840633
H 6.215661 -0.980297 0.146999
H 5.357301 -2.051433 -0.967127
H -2.968708 1.605937 -1.835192
H -4.520459 -0.165400 -1.843541
H -1.307141 -0.036317 1.083366
H -5.181671 -2.391299 -0.991823
H -1.987039 -2.256977 1.896307
H -3.920010 -3.448257 0.873223


%chk=000217799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217799

0 1
O 1.557752 0.294918 2.008907
O -2.036235 3.052971 0.938838
N 2.736596 -0.430168 0.142275
N -1.167364 1.393426 -0.482525
N -2.386231 1.036284 -1.072091
C 1.185734 1.533902 -0.085258
C 0.107480 0.937540 -1.063272
C 0.425500 2.557935 0.803556
C 3.388274 -1.511508 0.922888
C 3.172251 -0.363771 -1.270049
C 1.843609 0.425683 0.775261
C 4.925547 -1.361838 0.882869
C 4.708120 -0.186857 -1.365667
C 5.439911 -1.298186 -0.575613
C -1.059146 2.403013 0.480214
C -3.059446 -0.135034 -0.614226
C -4.338297 -0.432781 -1.157460
C -2.467149 -1.025070 0.318730
C -5.015807 -1.603737 -0.762804
C -3.154571 -2.199139 0.697067
C -4.428207 -2.500031 0.162677
H 1.966491 2.047758 -0.671381
H 0.220660 1.324310 -2.095562
H 0.138958 -0.166301 -1.107194
H 0.737489 3.600241 0.621281
H 0.582204 2.326532 1.872161
H 3.094418 -2.489215 0.486365
H 2.998063 -1.455356 1.951195
H 2.654680 0.452510 -1.796191
H 2.883961 -1.312162 -1.772264
H 5.386460 -2.212468 1.419744
H 5.210404 -0.438378 1.423364
H 4.983900 0.804827 -0.955881
H 5.009314 -0.202032 -2.430728
H 6.531980 -1.125087 -0.593860
H 5.261830 -2.275502 -1.070922
H -2.976405 1.846759 -1.290879
H -4.793483 0.249862 -1.885581
H -1.500105 -0.780754 0.770298
H -6.005210 -1.819006 -1.182415
H -2.693446 -2.874387 1.426992
H -4.956783 -3.409910 0.465444


