%chk=000115445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115445

0 1
O 3.505626 1.454407 1.243665
N 2.709776 -0.419082 0.250611
N -0.182003 -0.566047 -0.094704
N -3.808811 0.456629 0.010731
C 2.131458 -1.175551 -0.900412
C 1.835967 -0.816286 1.402448
C 1.939921 -2.591618 -0.292268
C 1.755687 -2.354204 1.226497
C 0.768198 -0.522445 -1.260026
C 0.454528 -0.140018 1.199761
C -1.391826 0.271466 -0.387665
C 3.412753 0.794460 0.221123
C -2.574898 -0.276259 0.441775
C 4.092590 1.141513 -1.091290
C 4.913765 2.417951 -0.956926
C -3.972168 1.735380 0.781219
C -5.032024 -0.406121 0.116266
C -4.902965 2.685491 0.025740
C -5.029170 -1.456262 -0.995823
H 2.809615 -1.179788 -1.777625
H 2.289928 -0.502818 2.368115
H 1.058991 -3.093998 -0.724389
H 2.816411 -3.226661 -0.492654
H 2.544841 -2.856624 1.807453
H 0.786665 -2.745641 1.575859
H 0.288112 -1.097551 -2.081708
H 0.943993 0.506452 -1.638279
H 0.579677 0.961890 1.283507
H -0.234383 -0.451734 2.013522
H -1.240338 1.352832 -0.187698
H -1.653945 0.191088 -1.466430
H -2.369164 -0.192053 1.528299
H -2.682317 -1.364652 0.232572
H 4.747482 0.301612 -1.405326
H 3.334432 1.260593 -1.891055
H 4.284904 3.268555 -0.659836
H 5.679303 2.317483 -0.174228
H 5.415929 2.673584 -1.894971
H -2.971865 2.213220 0.881776
H -4.348892 1.571317 1.813878
H -5.926683 0.246358 -0.002949
H -5.127610 -0.897833 1.108225
H -4.585439 2.792191 -1.020651
H -5.935945 2.320076 0.007566
H -4.904838 3.680268 0.481840
H -4.890121 -0.983340 -1.977454
H -4.213735 -2.179221 -0.874591
H -5.972315 -2.010407 -1.016891


%chk=000115445-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115445

0 1
O 3.855030 1.424559 1.328930
N 2.659915 -0.216501 0.213330
N -0.193849 -0.368485 -0.174211
N -3.949690 0.319193 0.065366
C 2.100566 -0.970833 -0.935817
C 1.769248 -0.568285 1.347854
C 1.875501 -2.386116 -0.320500
C 1.660010 -2.115130 1.208442
C 0.753048 -0.297527 -1.317155
C 0.406591 0.126846 1.095804
C -1.511368 0.234863 -0.486866
C 3.617538 0.779893 0.256541
C -2.653458 -0.333767 0.384809
C 4.385564 1.042152 -1.052141
C 5.510683 2.075581 -0.866615
C -4.134528 1.601601 0.800530
C -5.113017 -0.598109 0.203992
C -5.085380 2.578160 0.082300
C -5.221202 -1.607128 -0.955218
H 2.783711 -0.972350 -1.799835
H 2.213127 -0.218527 2.292411
H 0.998055 -2.875805 -0.774459
H 2.762913 -3.020499 -0.491491
H 2.442316 -2.605737 1.813118
H 0.673803 -2.473026 1.547390
H 0.297457 -0.820951 -2.179168
H 0.965614 0.757170 -1.632242
H 0.574252 1.232890 1.077106
H -0.283876 -0.096283 1.928712
H -1.484077 1.350058 -0.396523
H -1.758531 0.011348 -1.540670
H -2.406008 -0.236307 1.470083
H -2.727951 -1.415299 0.176631
H 4.800846 0.086028 -1.429773
H 3.668721 1.392657 -1.823020
H 5.107319 3.024321 -0.475241
H 6.256608 1.717338 -0.137192
H 6.019372 2.271510 -1.828069
H -3.142831 2.082496 0.892438
H -4.494413 1.421948 1.846211
H -6.029288 0.019887 0.215805
H -5.088351 -1.144588 1.181543
H -4.706082 2.800065 -0.930333
H -6.104515 2.163473 -0.020435
H -5.165917 3.525330 0.647955
H -5.312454 -1.071240 -1.916005
H -4.333766 -2.263311 -1.014340
H -6.108158 -2.254962 -0.823384


