%chk=000122100.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122100

0 1
 O    4.268100       2.009300     -6.2399998E-02
 O    3.761300      -2.663500     -0.8538000    
 N  -0.2097000      0.5861000      0.3762000    
 N   -1.816700       1.865500     -0.4902000    
 N   -1.459700      -1.464900      0.7387000    
 N   -3.783600      -1.222800      3.3799998E-02
 N   -4.641300      0.8121000     -0.8880000    
 C    2.251000      0.7116000     -3.1199999E-02
 C    1.103100      0.1988000      0.8631000    
 C    2.919300     -0.6646000      0.1691000    
 C    1.506500      -1.226600      0.4319000    
 C    2.992200       1.914600      0.5507000    
 C    3.617900      -1.262500      -1.041700    
 C   -1.332600     -0.1905000      0.3395000    
 C  -0.5505000       1.811100     -0.1329000    
 C   -2.317600      0.6212000     -0.2004000    
 C   -3.582600      6.1400000E-02 -0.3486000    
 C   -2.725300      -1.896100      0.5462000    
 H    1.972900      0.8900000      -1.080600    
 H    1.227200      0.3821000       1.937600    
 H    3.553000     -0.7178000       1.066300    
 H    1.016500      -1.611600     -0.4716000    
 H    1.449700      -1.989800       1.213900    
 H    2.448300       2.842600      0.3550000    
 H    3.139000       1.826100       1.632300    
 H    4.610700     -0.8209000      -1.171700    
 H    3.041300      -1.101400      -1.958600    
 H   0.1500000       2.629800     -0.2156000    
 H    4.801900       1.257900      0.2465000    
 H    4.214500      -3.012000      -1.640400    
 H   -2.922300      -2.921000      0.8418000    
 H   -5.551300      0.3829000     -0.9854000    
 H   -4.494000       1.770600      -1.174000    


%chk=000122100-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122100

0 1
O 3.745152 1.990794 1.380611
O 4.840854 -1.883498 -1.452258
N -0.300643 -0.113226 -0.315463
N -1.898118 0.699071 -1.758833
N -1.713162 -0.432425 1.705305
N -4.055457 0.211329 1.305805
N -4.829095 1.034208 -0.770333
C 2.206848 0.425654 0.203162
C 0.986087 -0.563082 0.216441
C 3.122348 -0.800539 -0.169209
C 1.838496 -1.593590 -0.595714
C 2.497956 1.212358 1.482747
C 4.206651 -0.577005 -1.214523
C -1.501319 -0.072486 0.406220
C -0.602899 0.362081 -1.602057
C -2.472053 0.429199 -0.501610
C -3.800133 0.564516 0.000969
C -3.019272 -0.257225 2.069129
H 2.136449 1.126138 -0.651860
H 0.780109 -0.924135 1.240369
H 3.578795 -1.250226 0.733798
H 1.664182 -1.517472 -1.684029
H 1.764650 -2.648985 -0.295664
H 1.715904 1.969212 1.663847
H 2.527623 0.525188 2.356073
H 4.949841 0.165826 -0.846647
H 3.754084 -0.176709 -2.149043
H 0.149152 0.440421 -2.383734
H 4.511886 1.364195 1.345508
H 5.561262 -1.788884 -2.124819
H -3.273751 -0.523541 3.099312
H -5.757522 1.110706 -0.360374
H -4.657705 1.299831 -1.737625


