%chk=000216503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216503

0 1
O 3.955280 3.056650 0.944716
O 1.536034 -1.832638 -1.924994
N 2.988834 0.430490 0.380011
N 0.565532 -1.014303 -0.023418
C 2.883898 1.527370 -0.640390
C 4.207249 0.636915 1.231652
C 3.035461 -0.906467 -0.287004
C 2.803336 2.873061 0.095899
C 4.088953 2.006152 1.921800
C -0.818170 -1.215040 -0.533300
C 1.658741 -1.273627 -0.845630
C -1.338467 0.134324 -1.007816
C -1.707325 -1.875389 0.507400
C -1.792275 1.096236 -0.094102
C -3.102086 -1.761509 0.383995
C -1.318050 0.429934 -2.377951
C -1.171002 -2.649374 1.545308
C -2.231740 2.341461 -0.550771
C -3.944105 -2.397086 1.298563
C -1.760071 1.676434 -2.830471
C -2.018085 -3.282263 2.460952
C -2.217642 2.633008 -1.918866
C -3.404484 -3.156371 2.342425
H 1.958882 1.367765 -1.237495
H 3.735516 1.537253 -1.354568
H 5.154131 0.589766 0.651402
H 4.245342 -0.167681 1.996199
H 3.774199 -0.977950 -1.118802
H 3.328371 -1.684111 0.455235
H 2.878683 3.731237 -0.595067
H 1.888111 2.952685 0.708484
H 3.227859 2.043802 2.612166
H 5.017439 2.287791 2.449023
H -0.757854 -1.930513 -1.413383
H 0.669645 -0.416291 0.798349
H -1.811024 0.868427 0.971291
H -3.533178 -1.174888 -0.427866
H -0.950519 -0.309304 -3.091615
H -0.092790 -2.773612 1.641646
H -2.587530 3.085138 0.160330
H -5.024051 -2.302132 1.196733
H -1.746585 1.901406 -3.895882
H -1.592589 -3.879045 3.266107
H -2.562803 3.602474 -2.273063
H -4.061868 -3.649786 3.055165


%chk=000216503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216503

0 1
O 3.665144 2.851968 1.494242
O 1.511409 -2.009906 -2.163595
N 2.957697 0.305701 0.294119
N 0.630806 -0.936881 -0.274141
C 2.794818 1.584941 -0.456389
C 4.079515 0.412293 1.266356
C 3.046343 -0.866598 -0.607929
C 2.559023 2.740556 0.528232
C 3.817011 1.584734 2.226964
C -0.791472 -1.137450 -0.615357
C 1.657387 -1.322186 -1.106957
C -1.361841 0.172373 -1.186450
C -1.587452 -1.730115 0.557632
C -1.786753 1.228081 -0.339000
C -3.005447 -1.668730 0.559215
C -1.380283 0.369678 -2.589513
C -0.937875 -2.419919 1.610881
C -2.219589 2.456586 -0.884699
C -3.752790 -2.274092 1.592467
C -1.817143 1.596917 -3.138317
C -1.684167 -3.022118 2.649574
C -2.236863 2.645215 -2.287240
C -3.095341 -2.951165 2.646060
H 1.928538 1.497436 -1.138508
H 3.700372 1.800249 -1.072805
H 5.054739 0.576130 0.747957
H 4.148270 -0.530100 1.842015
H 3.677685 -0.689845 -1.506642
H 3.497787 -1.713241 -0.055988
H 2.526303 3.708714 0.002979
H 1.600952 2.580758 1.069780
H 2.898041 1.380647 2.818797
H 4.669718 1.738169 2.908552
H -0.778849 -1.884699 -1.434921
H 0.916632 -0.307908 0.491963
H -1.794175 1.081894 0.748114
H -3.524778 -1.144136 -0.250773
H -1.039345 -0.437924 -3.248468
H 0.155013 -2.493131 1.608054
H -2.548097 3.263657 -0.219856
H -4.847137 -2.217568 1.575766
H -1.830322 1.733986 -4.225399
H -1.163923 -3.550480 3.456794
H -2.577306 3.596810 -2.710871
H -3.675053 -3.418903 3.449702


