%chk=000199027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199027

0 1
O 2.909604 0.954884 -0.003811
O -2.579215 -0.238328 -2.095664
O -3.646904 -1.631865 -0.700549
O 0.995015 -2.681769 1.059434
O 2.910645 -1.823068 0.308243
O 2.871185 0.100112 -2.110255
N -4.921751 0.970470 0.206166
C -2.642454 0.739419 1.119730
C -1.174875 0.772577 0.804353
C -3.502861 0.789824 -0.161363
C -0.422100 -0.404118 0.833254
C -0.552747 1.994003 0.475895
C 0.953978 -0.386705 0.536107
C 1.543648 0.846610 0.198247
C 0.803015 2.038173 0.169308
C -3.278909 -0.509979 -0.951854
C 1.747874 -1.624597 0.593730
C 3.524718 0.373333 -1.144607
C 4.972905 0.282138 -0.856054
H -2.902653 -0.157345 1.722453
H -2.923197 1.602783 1.766163
H -3.183136 1.660930 -0.800497
H -0.892683 -1.361255 1.089181
H -1.141577 2.913733 0.456466
H 1.299901 2.972107 -0.092595
H -5.277814 0.183061 0.744351
H -5.510624 1.082737 -0.614338
H -2.372833 -1.048733 -2.637463
H 1.521254 -3.527442 1.095479
H 5.316038 1.051338 -0.145010
H 5.574444 0.352741 -1.774314
H 5.185709 -0.699167 -0.382286


%chk=000199027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199027

0 1
O 2.984340 0.954159 0.051229
O -2.730296 -0.141127 -2.280827
O -3.402182 -1.647106 -0.640298
O 0.917986 -2.753629 1.036789
O 2.963758 -1.823704 0.493072
O 2.868032 -0.109254 -2.040478
N -4.974522 0.860404 0.165752
C -2.690523 0.775545 1.120411
C -1.193790 0.796430 0.856737
C -3.544675 0.790483 -0.181775
C -0.434113 -0.392798 0.869098
C -0.528260 2.017253 0.569101
C 0.960541 -0.397516 0.593113
C 1.590672 0.842160 0.282450
C 0.849590 2.039956 0.280620
C -3.222496 -0.464662 -1.013669
C 1.731541 -1.665001 0.680722
C 3.558299 0.323061 -1.105337
C 5.056068 0.312804 -0.966690
H -2.966584 -0.126277 1.698925
H -3.005598 1.660378 1.701641
H -3.283723 1.676756 -0.783690
H -0.915403 -1.347632 1.100008
H -1.093955 2.956760 0.569642
H 1.369317 2.974750 0.051421
H -5.307615 0.034751 0.676939
H -5.588544 1.101569 -0.618737
H -2.515645 -0.973467 -2.785808
H 1.485909 -3.569157 1.075543
H 5.420666 1.259960 -0.538009
H 5.525147 0.121552 -1.942692
H 5.319660 -0.500799 -0.267302


