%chk=000162003.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162003

0 1
 O    4.152700      0.1443000     -0.3442000    
 O   -4.859100       2.067600     -0.1545000    
 N   -1.041800      -1.728800      0.2057000    
 C   0.2717000      -1.255100      6.6600002E-02
 C    2.879000     -0.3159000     -0.2090000    
 C   0.9826000     -0.8449000       1.191400    
 C   0.8576000      -1.198100      -1.195400    
 C    2.288500     -0.3744000       1.053300    
 C    2.163500     -0.7278000      -1.333300    
 C   -1.971400     -0.8311000      0.1218000    
 C    4.595800       1.115900      0.6021000    
 C   -1.620600      0.5906000     -0.1063000    
 C   -3.409500      -1.158600      0.2457000    
 C   -2.561700       1.532800     -0.1962000    
 C   -4.348900     -0.2147000      0.1554000    
 C    5.617300       1.997200     -3.0700000E-02
 C   -3.995700       1.201200     -7.2400004E-02
 H   0.5331000     -0.8942000       2.179800    
 H   0.3086000      -1.518200      -2.077000    
 H    2.819400     -9.0300001E-02   1.957000    
 H    2.618100     -0.6843000      -2.319300    
 H    5.030700      0.5993000       1.465000    
 H    3.771100       1.755500      0.9416000    
 H  -0.6012000      0.9378000     -0.2109000    
 H   -3.678200      -2.195800      0.4132000    
 H   -2.299300       2.571700     -0.3632000    
 H   -5.400100     -0.4635000      0.2474000    
 H    5.985400       2.748000      0.6746000    
 H    6.469800       1.411000     -0.3904000    
 H    5.202100       2.513100     -0.9032000    


%chk=000162003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162003

0 1
O 4.205940 0.736089 -0.456675
O -5.984138 0.674690 -1.129907
N -1.046953 -0.871331 0.826527
C 0.229534 -0.420576 0.468142
C 2.923817 0.337434 -0.080379
C 1.239482 -0.502131 1.473957
C 0.623205 0.002129 -0.847277
C 2.561963 -0.101437 1.223307
C 1.949814 0.360296 -1.116001
C -2.200353 -0.415837 0.321256
C 5.278263 0.710602 0.565405
C -2.385950 0.804816 -0.482358
C -3.400953 -1.188505 0.661117
C -3.629667 1.166981 -0.939994
C -4.640915 -0.851001 0.176548
C 6.548694 1.209261 -0.115603
C -4.834041 0.344262 -0.672489
H 0.943809 -0.869162 2.461669
H -0.102650 -0.021408 -1.666524
H 3.299356 -0.150274 2.029173
H 2.266108 0.652328 -2.121941
H 5.398375 -0.326129 0.939489
H 4.988726 1.365443 1.412133
H -1.522768 1.456742 -0.653146
H -3.241819 -2.067713 1.294381
H -3.790610 2.093485 -1.502989
H -5.533535 -1.444726 0.401058
H 7.385509 1.216575 0.605950
H 6.822055 0.555397 -0.960928
H 6.409202 2.234003 -0.499298


