%chk=000290098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290098

0 1
O 0.472044 0.200181 0.187340
O -1.185402 1.067550 1.511119
N -1.626136 -0.392280 -0.289854
C 2.818705 0.251438 0.607414
C 3.156471 0.400369 -0.896991
C 1.495499 0.962953 0.944398
C 3.202291 1.890721 -1.285190
C 2.769517 -1.233532 1.008458
C 4.494816 -0.293074 -1.211844
C 1.465317 2.421853 0.485858
C 1.859361 2.570484 -0.988129
C 4.092677 -1.935349 0.677483
C 4.456657 -1.772387 -0.804953
C -0.837603 0.374395 0.578467
C -3.050037 -0.510033 -0.214987
C -3.678578 -1.332283 -1.173191
C -3.806201 0.158249 0.763145
C -5.066234 -1.475045 -1.139031
C -5.192203 -0.001284 0.775661
C -5.827197 -0.813893 -0.169577
H 3.619105 0.757715 1.203762
H 2.344085 -0.096702 -1.482738
H 1.230123 0.869028 2.020619
H 3.443638 1.992782 -2.359365
H 4.016558 2.404832 -0.741666
H 1.931401 -1.730214 0.479456
H 2.548533 -1.331591 2.087049
H 5.322794 0.219000 -0.686531
H 4.719079 -0.206109 -2.290876
H 2.145650 3.016796 1.126168
H 0.451393 2.841794 0.653851
H 1.906616 3.641548 -1.258524
H 1.067654 2.124283 -1.623501
H 4.020388 -3.009406 0.931722
H 4.904118 -1.525846 1.309250
H 5.436700 -2.243282 -1.006378
H 3.721840 -2.313919 -1.431405
H -1.143577 -0.913423 -1.028010
H -3.099288 -1.851507 -1.931536
H -3.316589 0.795919 1.506481
H -5.558445 -2.108824 -1.876528
H -5.782892 0.515270 1.532804
H -6.907747 -0.931072 -0.150602


%chk=000290098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290098

0 1
O 0.399172 0.278067 0.034781
O -1.197643 0.917208 1.652482
N -1.755362 -0.289768 -0.312566
C 2.794450 0.248253 0.545904
C 3.259603 0.393951 -0.931281
C 1.471481 0.991499 0.814288
C 3.316262 1.886117 -1.343794
C 2.746128 -1.236392 0.981894
C 4.620258 -0.313392 -1.140489
C 1.513823 2.465056 0.366233
C 1.968502 2.604871 -1.104731
C 4.108706 -1.933515 0.762022
C 4.578383 -1.797531 -0.706212
C -0.899540 0.357232 0.567052
C -3.160178 -0.472426 -0.190184
C -3.822701 -1.160386 -1.242610
C -3.906338 -0.000353 0.922476
C -5.214572 -1.374377 -1.185238
C -5.299526 -0.223804 0.963310
C -5.964400 -0.907180 -0.080535
H 3.551620 0.765367 1.180070
H 2.503048 -0.113325 -1.568769
H 1.188020 0.919883 1.881608
H 3.608247 1.967719 -2.409802
H 4.112535 2.392548 -0.756598
H 1.963717 -1.756860 0.395240
H 2.447396 -1.306498 2.047291
H 5.397008 0.218068 -0.549460
H 4.920841 -0.232114 -2.204350
H 2.228029 2.996082 1.028731
H 0.522969 2.927689 0.528152
H 2.051084 3.676411 -1.369627
H 1.196288 2.166536 -1.766886
H 4.038287 -3.001915 1.044495
H 4.867980 -1.475007 1.429658
H 5.575278 -2.262550 -0.834735
H 3.877796 -2.351616 -1.364927
H -1.301918 -0.674078 -1.144310
H -3.248183 -1.525529 -2.103744
H -3.394554 0.528218 1.729108
H -5.712151 -1.905624 -2.004175
H -5.869124 0.142788 1.824809
H -7.045819 -1.073218 -0.035480


