%chk=000158633.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158633

0 1
 O   0.2067000     -0.2085000      0.4087000    
 O    3.303400       1.369300      0.9917000    
 O    2.688800       2.209400      -1.701400    
 O    1.617800     -0.3284000       2.221400    
 N   -3.960100     -0.3599000     -0.9554000    
 C   -2.735400      0.1924000     -0.3007000    
 C   -3.217000       1.300400      0.6354000    
 C   -5.113200      0.1828000     -0.2223000    
 C   -4.642600       1.564100      0.1865000    
 C   -2.060900     -0.9696000      0.3594000    
 C   -3.864000      -1.831400     -0.8379000    
 C   -2.698600      -2.103100      5.3900000E-02
 C  -0.8317000     -0.8212000       1.179300    
 C    2.422500      0.6355000      0.1264000    
 C    3.259200     -0.4248000     -0.6676000    
 C    1.734000       1.714800     -0.7532000    
 C    1.391900     -1.8300001E-02   1.057300    
 C    4.067700      -1.347600      0.2785000    
 C    2.377900      -1.275700      -1.603300    
 C    1.137200       2.906700     -1.2200000E-02
 C    4.916200      -2.387000     -0.4445000    
 H   -2.086300      0.6094000      -1.080400    
 H   -2.600700       2.201800      0.5575000    
 H   -3.215800      0.9784000       1.683900    
 H   -6.004700      0.2240000     -0.8550000    
 H   -5.348100     -0.4002000      0.6778000    
 H   -4.653300       2.248600     -0.6704000    
 H   -5.254000       1.998000      0.9829000    
 H   -4.778200      -2.290200     -0.4455000    
 H   -3.673500      -2.259500      -1.828200    
 H   -2.403600      -3.090100      0.3789000    
 H  -0.4841000      -1.801700       1.527000    
 H   -1.046600     -0.1999000       2.056400    
 H    3.994400      0.1079000      -1.285000    
 H   0.9361000       1.259400      -1.350100    
 H    4.735500     -0.7364000      0.8969000    
 H    3.396700      -1.877200      0.9642000    
 H    2.991900      -1.871200      -2.286400    
 H    1.739900     -0.6493000      -2.232800    
 H    1.737700      -1.962900      -1.040900    
 H   0.6461000       3.584700     -0.7194000    
 H   0.3971000       2.596100      0.7305000    
 H    1.913700       3.496200      0.4866000    
 H    3.984100       1.785200      0.4351000    
 H    4.298200      -3.149500     -0.9273000    
 H    5.565700      -2.901000      0.2717000    
 H    5.552700      -1.918400      -1.201600    
 H    2.227900       2.839000      -2.281800    


%chk=000158633-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158633

0 1
O 0.291943 -0.482176 0.228708
O 3.263364 1.516156 0.807063
O 2.864575 2.139715 -1.824141
O 1.472668 -0.025328 2.188765
N -4.000325 -0.197110 -0.778167
C -2.728810 0.218933 -0.074743
C -3.184327 1.128010 1.106466
C -5.157109 0.504859 -0.156630
C -4.521176 1.710125 0.579213
C -2.056687 -1.099678 0.288773
C -4.063047 -1.685248 -0.850953
C -2.801462 -2.151430 -0.143184
C -0.770967 -1.167735 1.050052
C 2.404380 0.656367 -0.019509
C 3.299486 -0.472667 -0.672920
C 1.709693 1.551524 -1.092176
C 1.379483 0.045746 0.949576
C 3.909940 -1.382163 0.429294
C 2.594025 -1.287867 -1.780670
C 0.826225 2.656179 -0.494414
C 5.181472 -2.125886 -0.032337
H -2.077097 0.804578 -0.757421
H -2.443765 1.906706 1.359799
H -3.367154 0.517025 2.011576
H -5.896730 0.823389 -0.914710
H -5.686931 -0.151751 0.576676
H -4.324247 2.530493 -0.135476
H -5.170867 2.099963 1.381512
H -4.982332 -2.075797 -0.355725
H -4.090579 -2.049536 -1.899779
H -2.544021 -3.208675 -0.020895
H -0.442170 -2.207206 1.223663
H -0.819109 -0.645965 2.024788
H 4.127644 0.092373 -1.148870
H 1.118630 0.918568 -1.777257
H 4.151395 -0.756334 1.308348
H 3.149876 -2.119654 0.760544
H 3.262288 -2.093711 -2.133805
H 2.351110 -0.661416 -2.656917
H 1.660462 -1.750760 -1.415054
H 0.467740 3.340634 -1.287801
H -0.066540 2.221867 -0.011169
H 1.386061 3.237335 0.258619
H 3.797007 2.040317 0.149303
H 4.986817 -2.790996 -0.894147
H 5.589729 -2.750167 0.783639
H 5.969083 -1.408574 -0.332005
H 2.548956 2.908068 -2.360900


