%chk=000095897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095897

0 1
 O    3.808100       1.685300     -8.5800000E-02
 O    6.016300      2.7899999E-02  5.9099998E-02
 O   -6.650900      -1.652500      7.4800000E-02
 O   -7.211200      0.4642000     -8.2599998E-02
 N  -0.9870000       1.071600     -8.1500001E-02
 N  -1.5900001E-02  0.1407000     -5.2000000E-03
 N   -3.294700       1.662200     -0.1417000    
 N   -6.340400     -0.4383000     -1.1100000E-02
 C    2.359800     -0.2156000      4.1099999E-02
 C    3.641200      0.3351000      1.3200000E-02
 C    4.759200     -0.4960000      8.5400000E-02
 C    2.196300      -1.597200      0.1413000    
 C    4.595600      -1.877700      0.1856000    
 C    3.314200      -2.428200      0.2135000    
 C    1.178600      0.6336000     -3.1900000E-02
 C   -2.340000      0.6986000     -6.4800002E-02
 C   -2.637000     -0.6578000      3.1900000E-02
 C   -4.970300     -7.6899998E-02 -2.7000001E-02
 C   -3.973000      -1.042800      5.0400000E-02
 C   -4.582100       1.249900     -0.1210000    
 C    4.506300       2.329800      0.9767000    
 C    6.626900      0.1839000      -1.220300    
 H    1.212700      -2.058500      0.1658000    
 H    5.461800      -2.531300      0.2431000    
 H    3.187400      -3.504100      0.2918000    
 H    1.341200       1.724200     -0.1109000    
 H   -1.877100      -1.429900      9.3599997E-02
 H  -0.7752000       2.060100     -0.1516000    
 H   -4.203200      -2.102300      0.1259000    
 H   -5.298500       2.063400     -0.1854000    
 H    5.556600       2.468400      0.7058000    
 H    4.425000       1.780400       1.921200    
 H    4.061600       3.319200       1.119800    
 H    6.033300      0.8518000      -1.852600    
 H    6.746500     -0.7883000      -1.708700    
 H    7.616000      0.6271000      -1.075900    


%chk=000095897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095897

0 1
O 3.837657 1.625163 -0.122774
O 6.177927 -0.088497 0.035103
O -6.835758 -1.526376 0.098978
O -7.266818 0.707687 -0.146375
N -1.006443 0.972716 -0.116191
N 0.021180 0.060974 -0.005052
N -3.226948 1.608942 -0.206070
N -6.452838 -0.294160 -0.030121
C 2.411741 -0.345852 0.056797
C 3.720475 0.224352 0.025535
C 4.866946 -0.617737 0.085910
C 2.278777 -1.757844 0.196618
C 4.712420 -2.009196 0.250091
C 3.416009 -2.576022 0.311964
C 1.251985 0.540785 -0.046538
C -2.332584 0.571488 -0.085105
C -2.720043 -0.795141 0.059798
C -5.015073 -0.020480 -0.046030
C -4.087491 -1.087931 0.078337
C -4.546407 1.309197 -0.185892
C 4.540098 2.321157 0.986381
C 6.544628 0.528875 -1.262539
H 1.271052 -2.182809 0.221004
H 5.613950 -2.626539 0.314087
H 3.303374 -3.658172 0.433915
H 1.467173 1.617045 -0.168192
H -1.954278 -1.566992 0.150433
H -0.841890 1.985784 -0.229585
H -4.458739 -2.110460 0.185317
H -5.254596 2.136694 -0.282433
H 5.556216 1.912516 1.122580
H 3.962278 2.213935 1.923396
H 4.580189 3.378642 0.685266
H 5.850406 1.348078 -1.523070
H 6.538860 -0.237065 -2.060589
H 7.564664 0.917245 -1.122955


