%chk=000259586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259586

0 1
O 1.053431 -1.391473 -1.141824
O -3.234685 -0.604583 0.665678
O 3.251036 1.675823 0.701924
O 5.055390 0.412206 0.297326
N -1.636263 -0.858808 -0.941369
N 1.509980 -0.285381 0.806465
N -5.059965 -2.372561 -0.495989
C -0.603177 1.421667 -1.006701
C -0.948408 2.634144 -0.113100
C -0.696830 0.067976 -0.273859
C -2.403854 2.578891 0.357025
C 0.014274 2.762490 1.073794
C 0.690388 -0.605361 -0.283737
C -2.878892 -1.136760 -0.375390
C 2.921983 -0.691602 0.794670
C -3.753116 -2.128901 -1.144217
C 3.879796 0.456848 0.555610
H -1.290206 1.421078 -1.878796
H 0.404630 1.564732 -1.443252
H -0.824055 3.548174 -0.751732
H -1.062663 0.228904 0.785033
H -3.101740 2.668281 -0.482001
H -2.631582 3.384730 1.061958
H -2.645115 1.628705 0.861717
H 1.062498 2.667291 0.761869
H -0.186288 2.014770 1.848420
H -0.091463 3.742494 1.555072
H -1.293116 -1.319540 -1.784253
H 1.285826 0.502219 1.418811
H 3.182626 -1.177982 1.769162
H 3.091767 -1.475871 0.000798
H -3.223830 -3.105195 -1.255244
H -3.935485 -1.760885 -2.181481
H -4.922799 -2.740467 0.444559
H -5.567396 -1.495411 -0.386744
H 3.870103 2.442359 0.551600


%chk=000259586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259586

0 1
O 0.843342 -1.477148 -1.411321
O -3.100514 -0.495300 0.977042
O 3.515725 1.042967 1.758364
O 5.298291 -0.276084 1.049289
N -1.709906 -0.672468 -0.887531
N 1.704550 -0.163802 0.298325
N -4.708690 -2.702193 0.058229
C -0.547941 1.583236 -1.103723
C -1.130538 2.799693 -0.329087
C -0.644807 0.195529 -0.369999
C -2.653264 2.686713 -0.082039
C -0.367294 3.059038 0.993596
C 0.687233 -0.568293 -0.534411
C -2.838852 -0.999051 -0.161626
C 3.044090 -0.741958 0.188588
C -3.808769 -1.991506 -0.856175
C 4.084086 -0.002172 1.010561
H -1.063915 1.481980 -2.077326
H 0.515496 1.800495 -1.328491
H -0.958550 3.679360 -0.985907
H -0.863608 0.349553 0.703346
H -3.202626 2.559411 -1.033929
H -3.034010 3.602479 0.407967
H -2.896596 1.826474 0.567357
H 0.724479 3.141233 0.825204
H -0.549924 2.255200 1.733268
H -0.708228 4.001510 1.459439
H -1.444671 -1.236426 -1.703290
H 1.556809 0.567113 0.998489
H 3.055028 -1.802574 0.511365
H 3.373669 -0.755933 -0.867575
H -3.237450 -2.726541 -1.454801
H -4.418249 -1.408440 -1.574917
H -4.217335 -3.388680 0.642683
H -5.231612 -2.049932 0.655628
H 4.217349 1.499517 2.295208


