%chk=000095078.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095078

0 1
 O   -2.348600     -0.8052000      -1.046400    
 N   -3.353800      0.1102000      0.8082000    
 C   0.1509000      0.3916000     -0.2660000    
 C    1.268900       1.409400     -2.0000001E-03
 C   0.4428000     -0.9371000      0.4442000    
 C    2.639100      0.8525000     -0.3814000    
 C    1.814500      -1.490000      6.4199999E-02
 C    2.922000     -0.4724000      0.3197000    
 C   -1.201900      0.9509000      0.1708000    
 C   -2.334000     -9.8999999E-03 -0.1114000    
 H   0.1170000      0.1971000      -1.347100    
 H    1.275900       1.690400       1.059000    
 H    1.081500       2.327000     -0.5723000    
 H  -0.3073000      -1.696100      0.1999000    
 H   0.4033000     -0.7934000       1.531900    
 H    3.416800       1.579800     -0.1223000    
 H    2.685900      0.7081000      -1.467800    
 H    1.813800      -1.770900     -0.9961000    
 H    2.015200      -2.402900      0.6363000    
 H    3.880500     -0.8756000     -2.6000001E-02
 H    3.017900     -0.3008000       1.398900    
 H   -1.420400       1.879900     -0.3695000    
 H   -1.176400       1.194100       1.240300    
 H   -3.329100      0.7799000       1.570400    
 H   -4.181100     -0.4738000      0.7452000    


%chk=000095078-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095078

0 1
O -2.540800 -0.308600 -1.373816
N -3.339921 -0.091861 0.790408
C 0.142642 0.411494 -0.224497
C 1.299877 1.425380 -0.042256
C 0.438747 -0.896982 0.551100
C 2.663886 0.817251 -0.450321
C 1.799770 -1.509452 0.141161
C 2.951065 -0.491879 0.322643
C -1.211664 1.032747 0.202907
C -2.402988 0.156400 -0.203237
H 0.056773 0.160424 -1.302051
H 1.345393 1.739701 1.023068
H 1.097122 2.338874 -0.637091
H -0.373387 -1.629385 0.377530
H 0.452104 -0.675043 1.640583
H 3.474208 1.552192 -0.277076
H 2.653410 0.601504 -1.538802
H 1.751348 -1.819603 -0.923066
H 1.999346 -2.424557 0.732189
H 3.909406 -0.932157 -0.015308
H 3.066388 -0.259857 1.402248
H -1.338677 2.008720 -0.307479
H -1.212512 1.230652 1.293780
H -3.228506 0.260311 1.739022
H -4.159629 -0.653477 0.559060


