%chk=000089287.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089287

1 1
 O    2.813500     -6.6100001E-02 -1.6100001E-02
 O    2.102800       2.058500      0.5487000    
 O   -5.305300       1.827100     -9.0700001E-02
 O   -3.712900      -2.659700      0.4294000    
 O   -5.816300     -0.8887000      9.6600004E-02
 N    6.528500     -0.3633000     -0.2093000    
 C    5.077100     -0.8123000     -0.3005000    
 C    6.812700      0.1523000       1.194100    
 C    7.443500      -1.541000     -0.5121000    
 C    6.780300      0.7476000      -1.218500    
 C    4.170000      0.3559000      3.2099999E-02
 C    1.882600      0.8918000      0.2647000    
 C   0.5427000      0.2694000      0.1671000    
 C   -1.933400      0.5143000      0.3123000    
 C  -0.5495000       1.014400      0.3895000    
 C   -2.168800     -0.8476000      0.4078000    
 C   -2.972200       1.415800      0.1461000    
 C   -4.282200      0.9425000      7.3100001E-02
 C   -3.478800      -1.320900      0.3348000    
 C   -4.535600     -0.4260000      0.1676000    
 C   -5.682700       2.140700      -1.429800    
 C   -3.716200      -3.404600     -0.7869000    
 H    4.892100      -1.188100      -1.314000    
 H    4.928000      -1.643500      0.3992000    
 H    6.352300       1.132700       1.339300    
 H    6.443000     -0.5777000       1.920200    
 H    7.897100      0.2627000       1.298700    
 H    7.221200      -1.899700      -1.521500    
 H    8.482400      -1.203900     -0.4478000    
 H    7.251200      -2.325900      0.2253000    
 H    6.412300      0.4243000      -2.196700    
 H    6.294100       1.671000     -0.8951000    
 H    7.860400      0.9212000      -1.266000    
 H    4.345700      0.7374000       1.041400    
 H    4.280000       1.171300     -0.6886000    
 H   0.5073000     -0.7778000     -0.1093000    
 H  -0.4495000       2.068900      0.6371000    
 H   -1.375000      -1.572500      0.5608000    
 H   -2.783200       2.484000      7.1000002E-02
 H   -5.805400      -1.853000      0.2230000    
 H   -4.848800       2.607300      -1.963600    
 H   -6.011100       1.240500      -1.959000    
 H   -6.515200       2.848700      -1.394300    
 H   -3.957200      -4.444700     -0.5508000    
 H   -4.472000      -3.018300      -1.478000    
 H   -2.727800      -3.372200      -1.256100    


%chk=000089287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089287

1 1
O 2.943464 -0.116458 -0.067667
O 2.167584 2.082956 0.139640
O -5.219258 2.262455 -0.042154
O -4.212030 -2.463615 -0.499137
O -6.025806 -0.602211 -0.318082
N 6.714231 -0.393699 -0.093479
C 5.201109 -0.717918 -0.160723
C 7.093788 0.139727 1.288620
C 7.481722 -1.691824 -0.352098
C 7.099128 0.630792 -1.161813
C 4.277174 0.487452 0.052577
C 1.874979 0.868753 0.001239
C 0.579348 0.224382 -0.109174
C -1.948945 0.533161 -0.155989
C -0.570852 0.986134 -0.068030
C -2.310355 -0.843968 -0.303609
C -2.971951 1.516992 -0.093642
C -4.345586 1.187534 -0.160650
C -3.666359 -1.173493 -0.368479
C -4.699604 -0.183214 -0.287873
C -6.617291 2.166708 -0.521808
C -3.292806 -3.602329 -0.575077
H 5.012173 -1.159778 -1.153791
H 5.003881 -1.482962 0.609425
H 6.604300 1.108989 1.458278
H 6.767791 -0.582374 2.052657
H 8.186534 0.265714 1.332989
H 7.223579 -2.067768 -1.353665
H 8.562124 -1.489759 -0.294847
H 7.198620 -2.434566 0.409053
H 6.748700 0.274444 -2.142395
H 6.634911 1.599329 -0.929206
H 8.194613 0.738988 -1.170594
H 4.387359 0.953145 1.049670
H 4.399963 1.276564 -0.711995
H 0.572988 -0.863213 -0.220604
H -0.427495 2.070602 0.047809
H -1.541695 -1.618651 -0.360492
H -2.718079 2.576574 0.012443
H -6.033401 -1.595577 -0.408292
H -6.647340 1.833446 -1.574009
H -7.205222 1.477223 0.102473
H -6.999292 3.194487 -0.436203
H -3.934214 -4.489884 -0.668732
H -2.637851 -3.516574 -1.462384
H -2.682932 -3.673917 0.345017


