%chk=000170314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170314

0 1
 O   -3.681600      -1.713000     -0.2391000    
 O    1.395400      -2.431100     -0.2728000    
 O    3.864200      -1.961100      0.4699000    
 O    4.660500      2.9000000E-03 -0.3898000    
 N   0.7994000       1.567900      0.2881000    
 C   -2.725300      0.3590000      7.4299999E-02
 C  -0.3410000      0.7379000      0.1564000    
 C   -4.176200      0.6457000      3.0099999E-02
 C   -2.519500     -0.9955000     -0.1124000    
 C  -0.1649000     -0.6631000     -3.9799999E-02
 C   -1.659200       1.234900      0.2039000    
 C   -4.707200     -0.7806000      0.1772000    
 C   -1.253700      -1.536100     -0.1806000    
 C   0.6048000       3.001700      0.4904000    
 C    1.207700      -1.232500     -0.1035000    
 C    2.061400       1.006000      0.2252000    
 C    2.341900     -0.2892000      4.5299999E-02
 C   0.5472000       3.745200     -0.8282000    
 C    3.746200     -0.6990000      5.5000000E-03
 H   -4.525000       1.295700      0.8365000    
 H   -4.449200       1.070700     -0.9411000    
 H   -1.886900       2.288700      0.3166000    
 H   -4.956500      -1.003500       1.222600    
 H   -5.607500     -0.9396000     -0.4254000    
 H   -1.122400      -2.601800     -0.3342000    
 H  -0.2571000       3.236100       1.123900    
 H    1.456800       3.400800       1.058300    
 H    2.850900       1.742500      0.3404000    
 H    1.459300       3.585600      -1.413100    
 H  -0.3002000       3.417000      -1.438200    
 H   0.4418000       4.820700     -0.6537000    
 H    4.794400      -2.272500      0.4585000    


%chk=000170314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170314

0 1
O -3.733777 -1.710845 -0.193999
O 1.348245 -2.580327 -0.184406
O 4.077791 -2.044229 -0.013934
O 4.707663 0.159654 0.289740
N 0.815785 1.547550 0.335927
C -2.741950 0.404015 0.091278
C -0.330662 0.717993 0.190077
C -4.237158 0.686366 0.034159
C -2.535328 -0.992101 -0.069693
C -0.136071 -0.691466 0.019742
C -1.649743 1.264908 0.219417
C -4.848478 -0.746125 0.109877
C -1.257656 -1.552333 -0.111251
C 0.690426 3.026570 0.455409
C 1.230053 -1.323524 -0.022633
C 2.067433 0.995154 0.303020
C 2.337901 -0.364743 0.138310
C 0.457235 3.722005 -0.901932
C 3.783410 -0.694557 0.147973
H -4.590608 1.323164 0.863502
H -4.503793 1.190936 -0.913738
H -1.816233 2.339173 0.334501
H -5.215461 -0.986034 1.123974
H -5.641171 -0.934961 -0.629715
H -1.075141 -2.623074 -0.236172
H -0.121397 3.258420 1.167069
H 1.625043 3.396571 0.910092
H 2.913847 1.680137 0.417983
H 1.301299 3.531490 -1.587124
H -0.465680 3.366315 -1.390295
H 0.372355 4.813715 -0.754714
H 5.070322 -2.139419 0.008755


