%chk=000235037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235037

0 1
O 1.630663 -0.269653 -0.398884
O 1.919761 -2.392098 0.497749
N 3.713751 -0.987669 -0.046361
C 0.668596 2.339382 0.087974
C -2.473050 0.129023 0.083144
C -1.927867 -1.163659 -0.101927
C -3.970339 0.069434 0.199014
C -3.002051 -2.212187 -0.124232
C -4.329257 -1.433638 0.064275
C -0.256679 1.121872 0.019968
C -1.655095 1.248840 0.141465
C 0.241866 -0.181670 -0.173689
C -0.559231 -1.332743 -0.236154
C -0.106235 3.652974 0.322090
C 1.428032 2.461464 -1.248511
C 1.655728 2.151725 1.257086
C 2.375068 -1.363053 0.057933
C 4.744327 -2.048538 -0.021720
H -4.313471 0.478635 1.165818
H -4.457733 0.670945 -0.588477
H -2.993732 -2.775954 -1.074118
H -2.850214 -2.955181 0.679938
H -4.864471 -1.788010 0.959777
H -5.002292 -1.598142 -0.792279
H -2.107368 2.228646 0.286303
H -0.112415 -2.319258 -0.364991
H -0.656973 3.635130 1.268137
H -0.816976 3.855139 -0.485488
H 0.580099 4.505615 0.366449
H 2.102332 3.321911 -1.247748
H 2.030316 1.566394 -1.448400
H 0.734908 2.577824 -2.087909
H 2.289981 1.269786 1.109015
H 1.125245 2.013959 2.205029
H 2.315943 3.016396 1.366173
H 3.947484 -0.135903 -0.555038
H 5.652915 -1.653129 0.465012
H 5.003484 -2.409738 -1.030544
H 4.394048 -2.915872 0.573021


%chk=000235037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235037

0 1
O 1.658638 -0.320844 -0.509889
O 2.016927 -2.137714 0.999750
N 3.709744 -1.255650 -0.374722
C 0.663732 2.382603 0.071868
C -2.488429 0.094161 0.164770
C -1.943657 -1.188264 -0.085092
C -3.995921 -0.002870 0.369724
C -3.036473 -2.248420 -0.066487
C -4.342432 -1.405798 -0.224162
C -0.246725 1.127750 0.025825
C -1.653830 1.225799 0.217201
C 0.259591 -0.183346 -0.222292
C -0.560790 -1.331964 -0.283620
C -0.141394 3.670500 0.396918
C 1.344975 2.595351 -1.315242
C 1.749124 2.221545 1.180004
C 2.432556 -1.336692 0.131622
C 4.780580 -2.151588 0.067132
H -4.241115 0.035294 1.451183
H -4.557400 0.815139 -0.117272
H -2.921718 -3.010308 -0.858575
H -3.029337 -2.786632 0.903365
H -5.214011 -1.873758 0.265912
H -4.577412 -1.297492 -1.299618
H -2.099764 2.205632 0.409114
H -0.109809 -2.309928 -0.471591
H -0.639632 3.608987 1.382223
H -0.906917 3.885496 -0.371370
H 0.552408 4.530668 0.425361
H 2.003595 3.484302 -1.279047
H 1.949958 1.720808 -1.602415
H 0.584327 2.762693 -2.100189
H 2.417048 1.370601 0.974235
H 1.279391 2.062136 2.167791
H 2.366369 3.138518 1.235702
H 3.887715 -0.543820 -1.083504
H 5.615537 -1.586465 0.521011
H 5.171048 -2.755738 -0.772787
H 4.362601 -2.831692 0.826063


