%chk=000095028.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095028

0 1
 O   0.2214000      -1.926600       1.130600    
 O    4.316500     -0.8751000     -0.9040000    
 N  -0.3921000      0.9920000      0.9011000    
 N    2.806000      0.8528000     -0.5211000    
 N    2.279000      -1.424600      0.1129000    
 N    1.022200       2.464500      5.5000000E-03
 C   0.7115000      0.2816000      0.5246000    
 C    1.560700       1.206000     -1.9800000E-02
 C   -1.589000      0.4881000       1.530800    
 C   0.9969000      -1.111900      0.6382000    
 C  -0.1575000       2.301100      0.5679000    
 C    3.219400     -0.5022000     -0.4732000    
 C   -2.615700      7.7900000E-02  0.5100000    
 C    3.675800       1.873900      -1.091800    
 C    2.686600      -2.824300      0.1727000    
 C   -2.620900      -1.224800      3.0099999E-02
 C   -3.543900       1.007700      6.1400000E-02
 C   -3.572300      -1.604900     -0.9166000    
 C   -4.495300      0.6276000     -0.8852000    
 C   -4.509500     -0.6787000      -1.374200    
 H   -1.985900       1.280200       2.178500    
 H   -1.328200     -0.3376000       2.200600    
 H  -0.8765000       3.086500      0.7579000    
 H    3.164300       2.344800      -1.937000    
 H    4.618500       1.447400      -1.443600    
 H    3.892100       2.625300     -0.3262000    
 H    1.928200      -3.468300      0.6233000    
 H    3.611300      -2.893800      0.7544000    
 H    2.896400      -3.170700     -0.8443000    
 H   -1.936500      -1.978900      0.3911000    
 H   -3.542400       2.027800      0.4349000    
 H   -3.589600      -2.624400      -1.290800    
 H   -5.225300       1.348600      -1.241200    
 H   -5.251600     -0.9752000      -2.109600    


%chk=000095028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095028

0 1
O 0.326857 -2.024391 1.214030
O 4.399124 -0.894313 -0.876033
N -0.393941 1.010790 0.921133
N 2.854863 0.840121 -0.532922
N 2.361128 -1.422986 0.156214
N 1.070568 2.484313 -0.042002
C 0.735060 0.269126 0.534620
C 1.609867 1.204799 -0.045285
C -1.641211 0.475987 1.538377
C 1.059284 -1.125323 0.686217
C -0.143208 2.319338 0.550108
C 3.275503 -0.507229 -0.446336
C -2.700458 0.085156 0.512623
C 3.747593 1.849832 -1.136038
C 2.835355 -2.824732 0.235659
C -2.687375 -1.209590 -0.065746
C -3.705208 1.007722 0.128462
C -3.661689 -1.567920 -1.023705
C -4.679944 0.648837 -0.829434
C -4.658048 -0.640759 -1.409286
H -2.023754 1.259865 2.215567
H -1.342762 -0.398944 2.137763
H -0.855107 3.123328 0.720303
H 3.256953 2.314375 -2.007368
H 4.669000 1.336381 -1.445633
H 3.976638 2.637730 -0.399449
H 2.043113 -3.411975 0.721544
H 3.768530 -2.874423 0.819765
H 3.040855 -3.210595 -0.775970
H -1.916169 -1.925094 0.243209
H -3.731158 2.007095 0.582346
H -3.647274 -2.570562 -1.465142
H -5.454354 1.367746 -1.118819
H -5.414029 -0.921908 -2.150872


