%chk=000286192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286192

0 1
S 0.764840 1.827952 -0.537768
O 0.905791 1.986503 -1.984040
O 0.897782 2.993911 0.329760
O 4.160377 -1.927366 -1.495459
N -4.471996 -0.665613 0.615763
N 4.894889 -2.134966 1.109273
C -0.753489 1.089211 -0.212908
C 1.940981 0.647937 -0.034990
C -1.342839 0.233967 -1.152262
C -1.435207 1.373675 0.980080
C -3.250710 -0.091756 0.307908
C 2.571457 -0.135725 -1.013461
C -2.572043 -0.364641 -0.909204
C -2.663060 0.794592 1.256933
C 2.270736 0.497496 1.307891
C 3.512116 -1.073746 -0.616679
C 3.867041 -1.252072 0.760067
C 3.215742 -0.452165 1.714784
C -5.202923 -1.567348 -0.311181
C -6.540536 -1.978783 0.293191
H -0.830663 0.038370 -2.101737
H -0.992595 2.073443 1.700391
H 2.330344 0.006246 -2.071811
H 1.799722 1.132010 2.065461
H -3.005579 -1.024363 -1.651616
H -3.176927 1.024006 2.184301
H -4.936314 -0.423700 1.483550
H 3.463868 -0.550135 2.768555
H -5.362504 -1.050424 -1.287410
H -4.576533 -2.468029 -0.515506
H -6.419523 -2.515127 1.243165
H -7.195526 -1.117385 0.477344
H -7.081416 -2.650968 -0.386591
H 4.906484 -2.494040 2.049889
H 5.182946 -2.802747 0.404603
H 4.016568 -1.648918 -2.432190


%chk=000286192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286192

0 1
S 0.778653 1.786074 -0.520863
O 0.920142 1.888682 -2.155996
O 0.886918 3.082769 0.478877
O 4.343708 -2.036467 -1.442912
N -4.669421 -0.677082 0.566361
N 5.139339 -2.111926 1.111034
C -0.886843 0.988383 -0.178509
C 2.098645 0.564787 0.027822
C -1.498670 0.234890 -1.192937
C -1.508853 1.232919 1.060800
C -3.420753 -0.128606 0.303472
C 2.666098 -0.265873 -0.957735
C -2.765503 -0.330419 -0.952458
C -2.771792 0.669687 1.300076
C 2.523972 0.565381 1.364250
C 3.680517 -1.149640 -0.564838
C 4.134643 -1.211273 0.792760
C 3.543016 -0.334303 1.742866
C -5.437707 -1.486046 -0.387099
C -6.773179 -1.929100 0.233595
H -1.001589 0.119662 -2.162169
H -1.021183 1.875968 1.800932
H 2.330165 -0.175926 -1.998663
H 2.093148 1.271180 2.081114
H -3.248578 -0.915464 -1.739943
H -3.274652 0.850677 2.258077
H -5.099107 -0.481226 1.470286
H 3.894995 -0.354166 2.780461
H -5.631998 -0.904297 -1.313434
H -4.850713 -2.380464 -0.685120
H -6.607566 -2.540940 1.139496
H -7.394273 -1.056338 0.507917
H -7.346456 -2.538113 -0.485891
H 5.507950 -2.177151 2.054417
H 5.531803 -2.691761 0.373495
H 4.026426 -1.925177 -2.371447


