%chk=000091742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091742

0 1
 O    4.008800     -0.5216000      0.2778000    
 O   -2.219600       1.476000      0.7734000    
 O   -3.721400     -0.8187000      0.3191000    
 O    2.494800       1.153200      0.6430000    
 N    1.820000      -1.048400      0.1984000    
 C   0.4262000     -0.9870000      0.2298000    
 C   -1.606500      0.2865000      0.5185000    
 C    5.001000      0.3917000     -0.2049000    
 C   -2.360100     -0.8650000      0.2912000    
 C  -0.2133000      0.2254000      0.4880000    
 C  -0.3274000      -2.138500      2.3000001E-03
 C   -1.720600      -2.077500      3.3000000E-02
 C    4.586200      0.9033000      -1.576000    
 C    6.349800     -0.3103000     -0.2462000    
 C    2.739400     -2.1800000E-02  0.3979000    
 C   -1.957900       2.547000     -0.1315000    
 C   -4.407200      -1.196800     -0.8729000    
 C   -3.173100       3.447400     -0.1943000    
 C   -5.719000     -0.4449000     -0.9466000    
 H    5.078900       1.231100      0.4974000    
 H   0.3182000       1.146100      0.6840000    
 H   0.1578000      -3.090400     -0.1985000    
 H   -2.294200      -2.984400     -0.1377000    
 H    2.219300      -1.963600      4.0000002E-03
 H    5.377500       1.517100      -2.018700    
 H    3.682500       1.518300      -1.537800    
 H    4.374200      7.0299998E-02  -2.255900    
 H    7.140600      0.3629000     -0.5905000    
 H    6.615800     -0.6829000      0.7489000    
 H    6.316100      -1.181900     -0.9091000    
 H   -1.737900       2.168500      -1.137600    
 H   -1.093200       3.114100      0.2295000    
 H   -4.597300      -2.275200     -0.8472000    
 H   -3.808000     -0.9637000      -1.762000    
 H   -3.001900       4.289000     -0.8713000    
 H   -4.049000       2.888500     -0.5400000    
 H   -3.416400       3.837200      0.7996000    
 H   -6.278100     -0.7205000      -1.845100    
 H   -6.335900     -0.6580000     -6.7299999E-02
 H   -5.543300      0.6358000     -0.9573000    


%chk=000091742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091742

0 1
O 3.919959 -0.533178 -0.257264
O -2.505504 1.675351 -0.107996
O -3.950147 -0.542000 -0.338079
O 2.435411 1.299855 -0.111759
N 1.703679 -0.946153 -0.338518
C 0.282949 -0.830352 -0.337124
C -1.779125 0.486793 -0.221259
C 5.087975 0.410868 -0.197705
C -2.558364 -0.709190 -0.345230
C -0.370200 0.424465 -0.216960
C -0.478863 -2.012473 -0.460154
C -1.890406 -1.946597 -0.463220
C 5.370263 0.949858 -1.607549
C 6.236887 -0.405543 0.398805
C 2.642323 0.062260 -0.228305
C -1.738569 2.932954 0.018560
C -4.775108 -1.758204 -0.454144
C -2.763226 4.058846 0.122836
C -6.231837 -1.303734 -0.414533
H 4.796414 1.242423 0.470851
H 0.239559 1.323763 -0.121619
H 0.018517 -2.985125 -0.553735
H -2.460381 -2.874775 -0.558724
H 2.093259 -1.887238 -0.422795
H 6.241393 1.630339 -1.584701
H 4.502974 1.514993 -1.988381
H 5.594148 0.120774 -2.302336
H 7.134218 0.230581 0.505084
H 5.965089 -0.796143 1.394278
H 6.491063 -1.258914 -0.254652
H -1.086714 3.058045 -0.869995
H -1.095699 2.883661 0.921001
H -4.544195 -2.445228 0.387029
H -4.541290 -2.276994 -1.407677
H -2.247772 5.032030 0.217642
H -3.403912 4.085469 -0.774996
H -3.410120 3.915558 1.004998
H -6.905732 -2.175699 -0.501114
H -6.449494 -0.782490 0.533044
H -6.443623 -0.610557 -1.246204


