%chk=000041576.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041576

0 1
 O  -0.7464000      -1.509600     -5.0000002E-04
 O    5.082300       1.646300      6.9999998E-04
 N   0.4092000      0.5353000     -4.9000001E-03
 C   -3.253900     -0.2966000     -7.0000002E-03
 C   -4.510700      0.5737000      2.8300000E-02
 C   -1.986900      0.5558000     -7.4999998E-03
 C   -5.778600     -0.2790000     -5.2000000E-03
 C  -0.7166000     -0.2834000     -4.1999999E-03
 C   -7.030400      0.5836000     -4.3000001E-03
 C    1.766700      0.1354000     -2.4999999E-03
 C    2.758200       1.102500     -2.7000001E-03
 C    2.074900      -1.214900      1.0000000E-03
 C    4.096000      0.7081000      6.0000003E-04
 C    3.412800      -1.609200      4.1999999E-03
 C    4.423300     -0.6479000      4.0000002E-03
 H   -3.268300     -0.9333000     -0.9004000    
 H   -3.248300     -0.9690000      0.8601000    
 H   -4.506100       1.191800      0.9343000    
 H   -4.506400       1.257600     -0.8293000    
 H   -1.971100       1.200000     -0.8949000    
 H   -1.971500       1.201000      0.8792000    
 H   -5.779700     -0.9105000     -0.9012000    
 H   -5.800400     -0.9478000      0.8631000    
 H   -7.076700       1.206700      0.8945000    
 H   -7.925000     -4.6599999E-02 -2.7200000E-02
 H   -7.055100       1.240400     -0.8797000    
 H   0.2554000       1.541500     -7.4999998E-03
 H    2.500700       2.158700     -5.2000000E-03
 H    1.352500      -2.017500      1.3000000E-03
 H    3.669200      -2.664800      7.0000002E-03
 H    5.463700     -0.9614000      6.6000000E-03
 H    4.676700       2.530300     -1.8000000E-03


%chk=000041576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041576

0 1
O -0.739473 -1.542000 -0.005507
O 5.190047 1.675067 0.008811
N 0.437979 0.491247 0.001803
C -3.297031 -0.280785 -0.002451
C -4.578128 0.581422 0.002145
C -2.014708 0.572610 0.003953
C -5.871760 -0.265097 -0.003761
C -0.732337 -0.277497 -0.000245
C -7.153623 0.595159 -0.000504
C 1.796012 0.060664 -0.000060
C 2.793752 1.074632 0.005156
C 2.175124 -1.307074 -0.006761
C 4.159221 0.716667 0.003665
C 3.550481 -1.631572 -0.008177
C 4.552592 -0.640939 -0.003091
H -3.288981 -0.941980 -0.889424
H -3.290084 -0.953194 0.876039
H -4.581612 1.242296 0.894919
H -4.580599 1.253176 -0.882493
H -2.007331 1.244204 -0.880215
H -2.008677 1.232505 0.896916
H -5.869162 -0.926006 -0.894150
H -5.871070 -0.935516 0.879475
H -7.194778 1.242461 0.896001
H -8.062952 -0.033324 -0.004922
H -7.192774 1.252089 -0.890055
H 0.299211 1.504967 0.005749
H 2.501125 2.134882 0.010543
H 1.405092 -2.078784 -0.010522
H 3.844412 -2.686863 -0.013438
H 5.617156 -0.889591 -0.004182
H 4.822375 2.593375 0.013684


