%chk=000173251.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173251

0 1
 O   -2.099100     -0.7048000      -2.210800    
 O    1.258800       2.650300     -0.4882000    
 O    2.016600      -2.581200      0.3450000    
 N   -2.876300      0.2735000       1.346200    
 N  -0.9464000      0.7798000     -0.7449000    
 N    4.143400     -0.9798000      0.7606000    
 C   -2.969200     -0.1901000     -3.4800000E-02
 C   -2.983700       1.267100      0.2848000    
 C   -1.742900     -0.4700000     -0.8504000    
 C   -1.740200       1.908000     -0.2609000    
 C  -0.7408000      -1.520000     -0.3777000    
 C   0.3591000      0.4769000     -0.4094000    
 C   -4.030300      0.1415000       2.203400    
 C   0.5329000     -0.8302000     -0.2017000    
 C    1.437300       1.458400     -0.2619000    
 C   -1.027800      -2.807200     -0.1548000    
 C    1.841200      -1.377400      0.1845000    
 C    2.770200      0.9229000      0.1666000    
 C    2.966600     -0.3968000      0.3747000    
 C    3.830600       1.979300      0.3298000    
 H   -3.870700     -0.6970000     -0.3448000    
 H   -3.889700       1.845000      0.1885000    
 H   -1.983500       2.572500      -1.095800    
 H   -1.227700       2.480700      0.5189000    
 H   -4.019400     -0.8378000       2.692500    
 H   -4.984200      0.2359000       1.671100    
 H   -4.005800      0.9049000       2.987600    
 H   -2.379000      0.1492000      -2.582000    
 H   -2.032500      -3.183100     -0.3206000    
 H  -0.2906000      -3.518800      0.1959000    
 H    3.997700       2.497100     -0.6210000    
 H    4.795700       1.584700      0.6561000    
 H    3.516500       2.717700       1.075500    
 H    4.973600     -0.4254000      0.9180000    
 H    4.185200      -1.983400      0.8889000    


%chk=000173251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173251

0 1
O -2.204415 -0.798971 -2.261110
O 1.109360 2.762914 -0.281276
O 2.073286 -2.650851 0.371475
N -2.665215 0.417001 1.310306
N -0.960225 0.770237 -0.795262
N 4.067063 -0.942712 0.764894
C -2.988851 -0.179055 -0.034177
C -3.030229 1.338097 0.169806
C -1.764099 -0.505906 -0.895047
C -1.790731 1.960963 -0.482636
C -0.759814 -1.593358 -0.489827
C 0.317276 0.481182 -0.383180
C -3.692091 0.222592 2.365547
C 0.505207 -0.900976 -0.223211
C 1.379952 1.513440 -0.132920
C -1.038886 -2.923287 -0.459895
C 1.784409 -1.414078 0.173995
C 2.684867 1.010812 0.269577
C 2.880170 -0.368377 0.401762
C 3.800524 1.999680 0.530024
H -3.893036 -0.785293 -0.161534
H -3.977060 1.889380 0.197009
H -2.058360 2.514271 -1.402959
H -1.228838 2.639446 0.176452
H -3.514379 -0.754730 2.845951
H -4.744071 0.249999 1.997488
H -3.565422 1.014093 3.124056
H -2.878676 -0.120799 -2.534413
H -2.037555 -3.297561 -0.706906
H -0.255946 -3.646435 -0.214528
H 4.659557 1.846998 -0.154140
H 4.180207 1.933888 1.569654
H 3.422670 3.022570 0.372226
H 4.901226 -0.396598 0.961913
H 4.067724 -1.966177 0.839788


