%chk=000191166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191166

0 1
O -3.250240 -2.662671 -0.886360
O 3.987430 -0.755793 0.026905
N -1.856996 2.006961 0.194829
C -0.993716 -0.308280 -0.051036
C -1.143799 -1.595574 -0.907518
C -1.353983 -0.744939 1.398272
C -2.013706 0.736443 -0.576958
C -2.034962 -2.562283 -0.112740
C -2.307568 -1.939761 1.270441
C 0.411044 0.272395 -0.066575
C 0.606329 1.662079 -0.077859
C -0.535594 2.646651 -0.109051
C 1.524865 -0.585912 -0.021027
C -2.969347 2.953516 -0.118302
C 1.914578 2.187460 -0.064713
C 2.808344 -0.039539 -0.009904
C 3.023324 1.354362 -0.035110
C 3.901318 -2.199532 0.059854
H -0.168980 -2.057671 -1.134255
H -1.606657 -1.386431 -1.892333
H -1.809767 0.094217 1.955784
H -0.444964 -1.023926 1.958473
H -1.884490 0.872064 -1.671575
H -3.043389 0.344520 -0.422920
H -1.604393 -3.581209 -0.042694
H -2.161583 -2.663172 2.086668
H -3.358842 -1.601665 1.333103
H -0.377554 3.422572 0.677659
H -0.525428 3.174121 -1.091301
H 1.370906 -1.660466 0.008542
H -3.918155 -3.194784 -0.421198
H -3.050380 3.245294 -1.175611
H -2.846148 3.866002 0.486652
H -3.922958 2.492591 0.187171
H 2.060612 3.268068 -0.075777
H 4.037724 1.743527 -0.026178
H 3.418247 -2.572543 -0.847539
H 3.382677 -2.529412 0.964392
H 4.960501 -2.486980 0.087490


%chk=000191166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191166

0 1
O -3.480567 -2.133941 -1.029145
O 4.127183 -0.684393 0.056241
N -1.840415 1.940362 0.179865
C -0.930219 -0.373613 -0.032494
C -1.088261 -1.690001 -0.853121
C -1.282147 -0.848468 1.417503
C -1.987296 0.652825 -0.528268
C -2.275204 -2.451780 -0.221917
C -2.385519 -1.933401 1.249799
C 0.466195 0.267311 -0.085208
C 0.610778 1.677604 -0.160684
C -0.590335 2.610624 -0.226583
C 1.634289 -0.540364 -0.000497
C -3.010480 2.824190 0.036533
C 1.913129 2.241603 -0.181893
C 2.921118 0.039166 -0.018714
C 3.066240 1.444671 -0.116918
C 4.035543 -2.139281 0.167047
H -0.179072 -2.312136 -0.774335
H -1.272579 -1.506576 -1.926157
H -1.600874 0.011795 2.031180
H -0.378917 -1.281452 1.886991
H -1.877813 0.779092 -1.637129
H -3.000006 0.252213 -0.355162
H -2.111478 -3.549082 -0.253468
H -2.265818 -2.749892 1.985192
H -3.389337 -1.494882 1.402930
H -0.421126 3.481200 0.436720
H -0.676741 3.018280 -1.272470
H 1.527677 -1.626225 0.082247
H -4.256193 -2.613041 -0.640270
H -3.195958 3.146152 -1.020440
H -2.867373 3.734563 0.647427
H -3.915534 2.306078 0.399282
H 2.021711 3.331911 -0.242626
H 4.071371 1.876149 -0.130187
H 3.531528 -2.582544 -0.714756
H 3.500092 -2.442573 1.088686
H 5.076711 -2.491843 0.212500


