%chk=000071806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071806

0 1
 O    2.317100       1.233900      -1.144700    
 O   -4.332700       1.485500     -0.8380000    
 O   -1.032600     -9.7900003E-02   2.002600    
 N   -2.601500       1.105800      0.7193000    
 N    5.980400      -2.491300      0.7604000    
 C   -1.315700       3.157700      0.2569000    
 C   -2.327600       2.448800       1.151800    
 C   4.3499999E-02   2.451400      0.2341000    
 C    1.052500       3.220500     -0.6246000    
 C   -3.566500      0.7721000     -0.2175000    
 C   -1.932900     -1.3800000E-02   1.188100    
 C   -3.515600     -0.6836000     -0.3503000    
 C   -2.527800      -1.158800      0.4998000    
 C    2.423700       2.556000     -0.6374000    
 C   -4.263400      -1.528200      -1.144600    
 C   -2.235900      -2.503500      0.6002000    
 C   -3.985400      -2.895400      -1.059100    
 C   -2.981600      -3.378300     -0.1949000    
 C    3.220100      0.3154000     -0.6746000    
 C    4.487700      0.7338000     -0.2875000    
 C    2.858300      -1.023900     -0.5916000    
 C    5.406700     -0.2008000      0.1896000    
 C    3.777300      -1.958500     -0.1143000    
 C    5.051500      -1.547000      0.2764000    
 H   -1.708000       3.220500     -0.7657000    
 H   -1.188400       4.186000      0.6158000    
 H   -1.955200       2.420800       2.182200    
 H   -3.266400       3.014000       1.143900    
 H   0.4286000       2.356500       1.256300    
 H  -6.7199998E-02   1.441700     -0.1742000    
 H   0.6703000       3.271900      -1.651600    
 H    1.152300       4.248500     -0.2576000    
 H    2.805400       2.571900      0.3920000    
 H    3.099800       3.132700      -1.279000    
 H   -5.034800      -1.157400      -1.809300    
 H   -1.463700      -2.874900       1.263600    
 H   -4.549800      -3.598100      -1.666600    
 H   -2.786100      -4.446500     -0.1486000    
 H    4.813700       1.766300     -0.3669000    
 H    1.866400      -1.347800     -0.8938000    
 H    6.398800      0.1309000      0.4851000    
 H    3.488000      -3.004400     -5.0999999E-02
 H    5.724200      -3.467700      0.8221000    
 H    6.904900      -2.193600       1.042300    


%chk=000071806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071806

0 1
O 2.311467 1.114370 -0.636364
O -3.841527 1.388785 -1.654271
O -2.143104 0.502282 2.649504
N -2.914034 1.284739 0.535179
N 6.568319 -2.599494 -0.182017
C -1.441798 3.249169 -0.034106
C -2.676030 2.724290 0.736629
C -0.119447 2.560048 0.365273
C 1.101439 3.184935 -0.344429
C -3.472156 0.727626 -0.651175
C -2.618452 0.282660 1.507765
C -3.520298 -0.753608 -0.418386
C -3.009496 -1.019585 0.875330
C 2.414889 2.456867 -0.044282
C -3.971641 -1.786187 -1.253341
C -2.932316 -2.326728 1.377719
C -3.897057 -3.113565 -0.755242
C -3.385118 -3.379690 0.540043
C 3.416257 0.249162 -0.476711
C 4.603324 0.571902 0.223545
C 3.290441 -1.027173 -1.076892
C 5.647959 -0.374884 0.320260
C 4.330566 -1.967917 -0.980162
C 5.532836 -1.658868 -0.277225
H -1.616792 3.133790 -1.120951
H -1.372747 4.338671 0.163363
H -2.542993 2.867102 1.824461
H -3.582409 3.266941 0.411947
H 0.016756 2.621995 1.464515
H -0.160471 1.483867 0.113297
H 0.941445 3.183396 -1.440441
H 1.215207 4.244383 -0.035225
H 2.579329 2.371786 1.051815
H 3.278293 2.993556 -0.491784
H -4.365108 -1.568328 -2.251163
H -2.534928 -2.519555 2.379067
H -4.238926 -3.946503 -1.379012
H -3.338875 -4.414123 0.897134
H 4.732517 1.549312 0.698210
H 2.368035 -1.263903 -1.616946
H 6.561721 -0.110593 0.866994
H 4.214302 -2.951590 -1.451920
H 6.479203 -3.515368 -0.609996
H 7.423819 -2.382772 0.319089


