%chk=000117552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117552

0 1
O -0.754818 0.471094 1.709677
O -5.092662 -0.810065 1.283526
O 1.458618 3.246357 -1.011970
N -2.830985 -1.238509 1.128871
N 0.328016 0.216425 -0.270959
N 3.624098 -1.313713 0.439147
N 0.168390 3.105321 0.861383
N 3.365768 -2.842953 -1.214846
N -0.347142 4.422583 0.757374
C -1.745703 -1.100609 0.134590
C -2.446354 -0.698622 -1.193129
C -3.949932 -0.636789 -0.887100
C 1.442750 1.094888 0.150795
C -0.709825 -0.069075 0.613381
C -4.091762 -0.865583 0.609249
C 2.721957 0.798502 -0.655477
C 3.068908 -0.639141 -0.663497
C 1.030791 2.570863 -0.089213
C 2.921620 -1.601126 -1.670245
C 3.787427 -2.660617 0.054905
H -1.228621 -2.093887 0.030238
H -2.087125 0.275443 -1.570909
H -2.231088 -1.440497 -1.982654
H -4.524120 -1.402686 -1.443328
H -4.398187 0.336044 -1.164941
H 1.634837 0.939960 1.250589
H -2.603331 -1.136894 2.117440
H 0.416231 -0.232233 -1.179845
H 2.605049 1.172803 -1.703996
H 3.556912 1.417573 -0.255196
H 3.854475 -0.902295 1.323805
H 2.553130 -1.476410 -2.672757
H -0.331230 2.532158 1.566547
H 4.197504 -3.419468 0.704253
H 0.411226 5.095715 0.942424
H -0.653923 4.612139 -0.208526


%chk=000117552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117552

0 1
O -0.782778 0.801559 1.870127
O -5.332048 -0.875961 0.838980
O 1.562875 3.395584 -1.004873
N -2.994125 -0.700461 1.124186
N 0.317853 0.368275 -0.126805
N 3.358873 -1.468305 0.248788
N 0.376261 3.265833 1.000648
N 3.052362 -2.845330 -1.517006
N -0.140743 4.591349 0.906903
C -1.751365 -0.890780 0.373596
C -2.235530 -0.878517 -1.116246
C -3.710962 -1.345436 -1.024651
C 1.484208 1.217631 0.202353
C -0.712157 0.173545 0.759043
C -4.154830 -0.950132 0.401025
C 2.701903 0.834742 -0.682882
C 2.926785 -0.644477 -0.805869
C 1.159737 2.731130 0.000805
C 2.745893 -1.522308 -1.882758
C 3.419930 -2.777695 -0.224150
H -1.295179 -1.879365 0.607735
H -2.192095 0.152088 -1.512082
H -1.617459 -1.528616 -1.758839
H -3.811567 -2.441328 -1.135354
H -4.372397 -0.873415 -1.767725
H 1.702675 1.057025 1.276732
H -2.989329 -0.364823 2.089062
H 0.358902 -0.175973 -0.993798
H 2.543208 1.266080 -1.686633
H 3.589541 1.353945 -0.276183
H 3.595678 -1.156103 1.190374
H 2.444544 -1.278072 -2.900053
H -0.101259 2.626176 1.658696
H 3.733736 -3.619462 0.388535
H 0.471040 5.254124 1.403735
H -0.231282 4.854168 -0.085809


