%chk=000186182.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186182

0 1
O 1.187946 -0.362808 -0.106487
O -1.698859 0.906441 0.930154
O 0.055866 -1.759893 -1.527428
O -1.902764 -1.325848 1.393606
N 1.616249 3.084503 -0.500293
N 1.260972 -2.579322 0.317149
N -3.386834 -0.221632 -0.059848
C 0.572612 2.004021 -0.287841
C 1.041520 0.740031 -1.057589
C 2.443093 1.040723 -1.607164
C 2.630120 2.561004 -1.470341
C 0.447898 1.864338 1.218907
C 2.174674 3.422679 0.863043
C 1.335499 2.648743 1.850328
C -0.561354 0.974862 1.852070
C 0.729315 -1.607854 -0.525921
C -2.283321 -0.345067 0.783141
C 0.615397 -3.922857 0.348694
C -0.358065 -4.071728 1.509453
C -3.875534 -1.449436 -0.749561
C -3.150751 -1.705708 -2.064046
H -0.390413 2.377388 -0.718522
H 0.314809 0.438749 -1.842347
H 3.199828 0.485619 -1.018641
H 2.555626 0.702506 -2.649804
H 2.424394 3.072860 -2.437086
H 3.664369 2.826234 -1.183203
H 3.252532 3.195621 0.973288
H 2.046728 4.519735 0.996037
H 1.479710 2.775091 2.908408
H -0.979329 1.383144 2.790659
H -0.156176 -0.047300 2.022038
H 1.662951 -2.261194 1.201755
H 1.439973 -4.669301 0.420979
H 0.097198 -4.100445 -0.624267
H -3.467260 0.646464 -0.594986
H -0.872833 -5.038305 1.474443
H -1.141743 -3.291237 1.485866
H 0.133053 -3.995903 2.484996
H -4.968445 -1.310073 -0.914543
H -3.755402 -2.319511 -0.060303
H -3.506135 -2.626985 -2.539960
H -2.061204 -1.830512 -1.915808
H -3.282510 -0.893134 -2.785627


%chk=000186182-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186182

0 1
O 1.597113 -0.510626 -0.147674
O -1.733833 0.908036 0.942315
O -0.012588 -1.592692 -1.512753
O -1.967235 -1.406080 1.369850
N 1.638694 3.117634 -0.576534
N 1.088838 -2.683951 0.259963
N -3.384052 -0.246124 -0.106297
C 0.755000 1.906442 -0.390244
C 1.555326 0.685717 -1.016005
C 2.988285 1.217362 -1.217046
C 2.745305 2.724088 -1.492547
C 0.476107 1.883765 1.109980
C 2.039698 3.641877 0.768385
C 1.179303 2.860300 1.739292
C -0.484362 0.927975 1.756231
C 0.804265 -1.619342 -0.553528
C -2.341624 -0.358163 0.778517
C 0.346371 -3.954923 0.207334
C -0.325842 -4.288397 1.554145
C -4.083639 -1.428716 -0.637123
C -3.573448 -1.833048 -2.038246
H -0.194968 2.012807 -0.946899
H 1.084194 0.388677 -1.970376
H 3.555822 1.082726 -0.277203
H 3.522451 0.695973 -2.029496
H 2.432014 2.877701 -2.544117
H 3.636764 3.349801 -1.316282
H 3.126399 3.491128 0.972180
H 1.848808 4.732307 0.845008
H 1.127920 3.094696 2.807087
H -0.745967 1.251353 2.779380
H -0.091576 -0.103676 1.796825
H 1.773449 -2.533011 1.002541
H 1.032779 -4.769562 -0.099602
H -0.411579 -3.841861 -0.585739
H -3.509245 0.660479 -0.559440
H -0.881683 -5.240667 1.473293
H -1.026977 -3.484153 1.830201
H 0.422943 -4.407438 2.360876
H -5.170250 -1.220836 -0.659710
H -3.912186 -2.246786 0.082647
H -4.083054 -2.753670 -2.378485
H -2.484372 -2.012575 -2.014985
H -3.775966 -1.039845 -2.782316


