%chk=000041554.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041554

0 1
 O   -1.735900      0.6365000      0.3404000    
 O    2.454600      -1.814300     -0.6382000    
 O    3.486200     -0.6876000       1.038300    
 N    2.880800       1.673500     -0.2828000    
 N   -5.118300     -0.7139000     -0.1575000    
 C    1.992500      0.5252000     -0.4595000    
 C   -2.753900     -0.1003000     -0.3162000    
 C   0.6612000      0.6095000      0.2375000    
 C   -4.037800      1.5000000E-02  0.4899000    
 C  -0.5479000      0.5494000     -0.3356000    
 C    2.718500     -0.6929000      8.3800003E-02
 H    1.850500      0.3898000      -1.538300    
 H   -2.917000      0.3029000      -1.324900    
 H   -2.456500      -1.154300     -0.4001000    
 H   0.6951000      0.7378000       1.319000    
 H   -3.883300     -0.3726000       1.503100    
 H   -4.318200       1.068000      0.6052000    
 H  -0.6596000      0.4360000      -1.406300    
 H    3.749800       1.519100     -0.7931000    
 H    3.139300       1.767200      0.6990000    
 H   -4.853900      -1.692200     -0.2688000    
 H   -5.258900     -0.3535000      -1.100700    
 H    2.939600      -2.593800     -0.2925000    


%chk=000041554-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041554

0 1
O -1.631301 0.145030 0.369046
O 2.956023 -1.840307 -0.527648
O 3.594223 -0.506867 1.269566
N 2.709875 1.765755 -0.474193
N -5.334279 -0.369644 -0.142355
C 2.074305 0.436199 -0.473988
C -2.841676 -0.128306 -0.438051
C 0.749966 0.461286 0.266200
C -4.050292 -0.115110 0.522445
C -0.422893 0.135186 -0.331231
C 2.951533 -0.641740 0.204102
H 1.906643 0.116380 -1.516790
H -2.955962 0.653798 -1.217918
H -2.747150 -1.118981 -0.931852
H 0.766471 0.752127 1.323992
H -3.889792 -0.873119 1.310092
H -4.090826 0.864912 1.030776
H -0.474051 -0.161336 -1.391050
H 3.584129 1.805940 -1.011390
H 2.832858 2.147457 0.470665
H -5.477525 -1.314239 -0.503771
H -5.674126 0.364536 -0.765922
H 3.490746 -2.524455 -0.039025


