%chk=000199387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199387

0 1
O -2.128144 -2.186970 -0.180013
O -4.376445 -1.221439 0.436977
N 1.352838 1.314915 1.001229
N 2.684645 -0.610204 0.740069
N 3.268527 1.459108 -0.446533
N 4.757392 -0.448278 -0.570259
N 4.129586 -2.469055 0.506988
C -0.112150 2.326074 -0.777565
C -1.277423 1.428703 -0.466251
C 0.775631 2.569074 0.456798
C -1.095713 0.026108 -0.513947
C -2.513701 1.959616 -0.116653
C -2.152812 -0.813866 -0.199176
C -3.429420 -0.260721 0.157350
C -3.599084 1.114944 0.193046
C 2.441144 0.714970 0.394872
C -0.863057 -2.827242 -0.487199
C -5.702257 -0.754040 0.784686
C 3.857074 -1.143680 0.238236
C 4.395410 0.827930 -0.876807
H 0.502156 1.896836 -1.599130
H -0.460834 3.303816 -1.169128
H 0.186397 3.039309 1.276781
H 1.601460 3.273635 0.192604
H -0.129176 -0.378332 -0.804622
H -2.663079 3.036148 -0.078492
H 0.687209 0.689850 1.471314
H -4.555115 1.557641 0.457267
H -0.088786 -2.511735 0.219768
H -0.576997 -2.621981 -1.522423
H -1.116170 -3.886310 -0.349965
H -6.141019 -0.194088 -0.045671
H -5.671237 -0.165514 1.705555
H -6.232978 -1.702557 0.942356
H 5.075413 1.401468 -1.530519
H 3.594420 -2.950791 1.213471
H 5.037897 -2.841142 0.268987


%chk=000199387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199387

0 1
O -2.272718 -2.261916 -0.298057
O -4.574510 -1.205844 0.494325
N 1.382892 1.171551 0.813706
N 2.900044 -0.604565 0.812951
N 3.380111 1.455989 -0.423797
N 5.009968 -0.356796 -0.408851
N 4.509395 -2.309668 0.790882
C -0.168559 2.283723 -0.843462
C -1.364513 1.400712 -0.524406
C 0.811550 2.446232 0.360200
C -1.246382 -0.015155 -0.603411
C -2.592812 1.948532 -0.098750
C -2.318875 -0.863754 -0.256113
C -3.560511 -0.293240 0.175855
C -3.682284 1.111156 0.246287
C 2.580439 0.666806 0.386461
C -1.012503 -2.874888 -0.726435
C -5.857543 -0.648413 0.924262
C 4.120619 -1.057309 0.394277
C 4.561390 0.875653 -0.769881
H 0.407329 1.876763 -1.695742
H -0.507624 3.296888 -1.132898
H 0.279909 2.910720 1.211177
H 1.649865 3.097548 0.064143
H -0.303222 -0.446639 -0.953331
H -2.711684 3.036801 -0.039006
H 0.807905 0.533557 1.367954
H -4.625301 1.564410 0.566444
H -0.174357 -2.589341 -0.060118
H -0.763946 -2.598683 -1.769938
H -1.189043 -3.958483 -0.661782
H -6.313155 -0.023186 0.131132
H -5.749025 -0.049647 1.850254
H -6.495519 -1.522583 1.120080
H 5.224318 1.466130 -1.410867
H 3.902745 -2.854058 1.398567
H 5.417209 -2.656804 0.491888


