%chk=000289027.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289027

0 1
O 4.100807 1.427421 1.137715
O 6.098954 -1.066136 0.191410
O 7.019735 1.217918 -0.404292
O 4.380497 3.315112 -1.988116
O -5.068215 3.334113 0.654555
N 2.660667 -0.325323 0.523996
N 3.070887 -2.666606 -0.161066
N 1.065627 -3.900003 -0.770626
N -2.072551 -0.360613 0.019213
N -0.972608 1.731904 0.628996
N -1.083896 -3.004307 -0.773603
N -2.090624 2.388050 0.688804
C 4.066201 0.029480 0.863859
C 5.037651 -0.268461 -0.319537
C 5.645113 1.105113 -0.711355
C 4.827053 2.145354 0.095791
C 3.786106 2.881452 -0.763797
C 2.241905 -1.595921 0.078530
C 1.530095 0.486205 0.650766
C 0.816787 -1.571069 -0.084075
C 0.385257 -0.238958 0.279900
C 0.245046 -2.804977 -0.534967
C -0.923161 0.371140 0.303231
C 2.409528 -3.780753 -0.578670
C -3.221145 0.328236 0.085408
C -4.608753 -0.119161 -0.147621
C -3.238375 1.729509 0.426723
C -5.466708 1.008114 0.050294
C -4.661560 2.234051 0.422140
C -5.120939 -1.353962 -0.492839
C -6.831705 0.889015 -0.100796
C -6.521937 -1.469883 -0.646359
C -7.357527 -0.375703 -0.455495
H 4.359847 -0.477614 1.817930
H 4.550805 -0.775925 -1.179450
H 5.601626 1.308538 -1.810440
H 5.486073 2.834846 0.666327
H 3.340905 3.735494 -0.223645
H 2.974085 2.206237 -1.100839
H 1.599951 1.513361 1.000621
H 5.853969 -2.024902 0.120131
H 7.274102 0.625641 0.349906
H 5.028715 4.033847 -1.823913
H 3.015092 -4.679904 -0.783956
H -1.411532 -3.911121 -1.073574
H -1.768459 -2.275392 -0.590977
H -4.473234 -2.215952 -0.642741
H -7.492546 1.745324 0.048558
H -6.944805 -2.438444 -0.919142
H -8.436505 -0.483986 -0.578511


%chk=000289027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289027

0 1
O 3.938312 1.773585 0.631510
O 5.412160 -1.400464 -0.470680
O 6.872229 0.519436 0.648667
O 6.137860 3.838417 -1.631152
O -5.493654 3.149173 0.675390
N 2.492441 -0.080013 0.288511
N 2.962856 -2.435783 -0.249826
N 0.980216 -3.798192 -0.638593
N -2.229316 -0.379902 0.022236
N -1.214142 1.821991 0.550677
N -1.204187 -2.944397 -0.527598
N -2.443216 2.426074 0.636694
C 3.894088 0.323529 0.536524
C 4.864555 -0.073541 -0.617042
C 5.990780 0.972628 -0.425479
C 5.249552 2.238168 0.041377
C 4.916611 3.241500 -1.077835
C 2.104743 -1.391691 -0.030094
C 1.361791 0.701577 0.425142
C 0.684849 -1.435737 -0.099088
C 0.209325 -0.086663 0.189906
C 0.133014 -2.724865 -0.422282
C -1.132003 0.455205 0.252085
C 2.318752 -3.605749 -0.547008
C -3.425966 0.237105 0.110537
C -4.780938 -0.320531 -0.068942
C -3.529411 1.634102 0.417509
C -5.715779 0.740316 0.130136
C -4.983923 2.023662 0.445813
C -5.220345 -1.619796 -0.377772
C -7.097398 0.519840 0.023887
C -6.616764 -1.844641 -0.485804
C -7.544010 -0.790135 -0.287920
H 4.236972 -0.145965 1.481720
H 4.353292 0.072586 -1.591553
H 6.562244 1.156035 -1.354255
H 5.823265 2.719717 0.854684
H 4.219399 4.008282 -0.684528
H 4.435286 2.736689 -1.931745
H 1.424606 1.755292 0.678462
H 4.599049 -2.033701 -0.386170
H 6.908340 -0.475608 0.562803
H 6.571528 4.401146 -0.940814
H 2.951847 -4.477714 -0.732515
H -1.514890 -3.886729 -0.760366
H -1.842554 -2.137462 -0.364954
H -4.510994 -2.439085 -0.531951
H -7.801494 1.343422 0.179194
H -6.986408 -2.847191 -0.725485
H -8.616269 -0.993522 -0.377609


