%chk=000179433.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179433

0 1
O -0.283663 -2.678903 0.207650
N 0.871770 -0.913687 -0.635012
N 2.835696 0.954063 0.538626
C 2.127952 -1.410101 0.029071
C 1.476020 1.407781 0.083778
C 0.903554 0.508049 -1.046247
C 3.252425 -0.351993 -0.064121
C 2.578543 -2.710928 -0.642076
C 0.563751 1.399683 1.317099
C -0.322414 -1.612406 -0.390895
C 3.876583 1.992018 0.280005
C -1.617496 -1.070994 -0.968778
C -2.363925 -0.233229 0.075855
C -3.661664 0.347958 -0.496726
C -4.410076 1.182977 0.552034
C -5.703499 1.767061 -0.011007
H 1.893297 -1.611330 1.110818
H 1.519379 2.453702 -0.318131
H -0.106593 0.864501 -1.338589
H 1.537992 0.593004 -1.958161
H 4.124102 -0.713986 0.527772
H 3.600455 -0.256634 -1.115180
H 2.735141 -2.592872 -1.718618
H 3.502279 -3.093388 -0.198598
H 1.806553 -3.489064 -0.511461
H 0.814946 2.220473 1.997226
H -0.497929 1.481301 1.041249
H 0.685614 0.471735 1.894605
H 4.834902 1.653846 0.707837
H 3.599638 2.914458 0.816488
H 4.039346 2.236420 -0.779611
H -1.450545 -0.494633 -1.897853
H -2.241229 -1.942801 -1.267550
H -2.587168 -0.864333 0.961242
H -1.708875 0.587747 0.449344
H -4.315065 -0.470550 -0.857626
H -3.442972 0.970118 -1.385326
H -4.637915 0.557139 1.437802
H -3.759672 2.000555 0.919479
H -6.231926 2.359248 0.744838
H -6.389059 0.980484 -0.347151
H -5.513051 2.423414 -0.867501


%chk=000179433-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179433

0 1
O -0.336167 -2.574341 0.334948
N 0.908331 -0.840883 -0.565558
N 2.867480 0.792238 0.560412
C 2.159081 -1.506853 -0.078511
C 1.777716 1.483556 -0.191471
C 1.096319 0.484748 -1.176039
C 3.309980 -0.475290 -0.049739
C 2.518869 -2.729826 -0.949339
C 0.770765 2.108293 0.796381
C -0.301459 -1.488110 -0.335215
C 3.971549 1.687369 0.944083
C -1.600651 -0.910642 -0.908036
C -2.427268 -0.126699 0.146508
C -3.830721 0.257159 -0.372998
C -4.657547 1.061323 0.656474
C -6.063217 1.435178 0.138268
H 1.953008 -1.846921 0.952748
H 2.206010 2.299266 -0.829026
H 0.127517 0.902652 -1.487021
H 1.720140 0.387673 -2.087572
H 4.122585 -0.896350 0.570198
H 3.734225 -0.344450 -1.080345
H 2.678345 -2.434428 -2.003347
H 3.447307 -3.203864 -0.579182
H 1.708436 -3.474525 -0.903555
H 1.287402 2.755044 1.527584
H 0.018928 2.726028 0.268129
H 0.256603 1.311054 1.360769
H 4.660491 1.160424 1.628433
H 3.575678 2.567595 1.480762
H 4.566815 2.060116 0.071566
H -1.439347 -0.285926 -1.805927
H -2.192330 -1.788297 -1.227709
H -2.524233 -0.755517 1.052738
H -1.884052 0.790646 0.449018
H -4.384192 -0.665234 -0.646458
H -3.733885 0.850907 -1.306767
H -4.750552 0.469037 1.589257
H -4.104148 1.983590 0.928160
H -6.633101 2.009994 0.891291
H -6.648035 0.529034 -0.108587
H -5.997474 2.051139 -0.778724


