%chk=000121884.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121884

0 1
 O   -2.094600      -1.352200     -0.5687000    
 O    2.185000      -2.827200       1.330200    
 O    3.872200     -3.6100000E-02  -2.190100    
 O    3.755700      -2.240400     -0.2470000    
 N   -5.273500      0.2119000      0.4487000    
 C   -5.812800      0.5433000     -0.8777000    
 C   -6.339700     -0.2217000       1.362500    
 C   -6.857600       1.656400     -0.7860000    
 C   -7.401600      0.8667000       1.527500    
 C   -7.977600       1.287900      0.1805000    
 C   -4.242900     -0.8202000      0.3384000    
 C   -3.076700     -0.3266000     -0.5029000    
 C  -0.7923000     -0.9520000     -0.7170000    
 C   0.2315000      -1.730400     -0.1891000    
 C  -0.5085000      0.2281000      -1.394900    
 C    1.556900      -1.323200     -0.3413000    
 C    1.849500     -0.1403000      -1.020300    
 C   0.8169000      0.6352000      -1.547100    
 C    3.223500      0.3129000      -1.194500    
 C    2.613900      -2.154300      0.2200000    
 C    3.902500       1.200300     -0.2049000    
 C    3.202400       1.601100      0.9099000    
 C    5.202400       1.582700     -0.4456000    
 C    3.836900       2.430300       1.834900    
 C    5.836800       2.411800      0.4795000    
 C    5.154100       2.835500       1.619800    
 C    3.137400      -3.679500       1.975300    
 H   -6.254200     -0.3410000      -1.356000    
 H   -5.043200      0.9340000      -1.548300    
 H   -5.917000     -0.4371000       2.351400    
 H   -6.812100      -1.144900       1.001500    
 H   -6.377900       2.585300     -0.4516000    
 H   -7.277900       1.853600      -1.778700    
 H   -8.206600      0.5032000       2.176200    
 H   -6.959300       1.739300       2.024900    
 H   -8.567200      0.4638000     -0.2396000    
 H   -8.657200       2.137200      0.3105000    
 H   -3.859900      -1.080500       1.334000    
 H   -4.641800      -1.751800     -8.5000001E-02
 H   -3.368200     -0.1207000      -1.535800    
 H   -2.681000      0.5867000     -3.8400002E-02
 H  -2.6400000E-02  -2.654300      0.3226000    
 H   -1.279100      0.8463000      -1.844900    
 H    1.032600       1.555800      -2.083700    
 H    2.178500       1.306800       1.112300    
 H    5.753900       1.265700      -1.325000    
 H    3.305900       2.760300       2.723100    
 H    6.862600       2.727500      0.3124000    
 H    5.648200       3.481000       2.340000    
 H    3.992300      -3.092900       2.324500    
 H    2.651000      -4.141900       2.838200    
 H    3.463200      -4.467400       1.289800    


%chk=000121884-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121884

0 1
O -2.088993 -0.658655 0.405091
O 2.385918 -2.534684 1.260367
O 3.359792 1.297424 -2.476913
O 3.757698 -1.736398 -0.442389
N -5.723193 0.192572 0.326978
C -6.272243 -0.233062 -0.987520
C -6.764313 0.154161 1.386737
C -7.437161 0.679025 -1.422645
C -7.945102 1.079125 1.028916
C -8.545010 0.699261 -0.344630
C -4.482450 -0.528286 0.692963
C -3.268966 0.157178 0.050282
C -0.838618 -0.230730 -0.045406
C 0.254873 -1.049775 0.323429
C -0.618960 0.923696 -0.839156
C 1.567321 -0.712558 -0.070537
C 1.808991 0.468882 -0.839931
C 0.696221 1.251497 -1.227687
C 3.171955 0.966066 -1.266390
C 2.682934 -1.670409 0.201275
C 4.240282 1.188004 -0.234763
C 3.938456 1.321909 1.146104
C 5.583783 1.331626 -0.671292
C 4.966946 1.590287 2.075882
C 6.610124 1.587931 0.258125
C 6.304579 1.718274 1.635742
C 3.426668 -3.547521 1.556931
H -6.634360 -1.294718 -0.939820
H -5.464920 -0.199775 -1.742368
H -6.304460 0.479365 2.338345
H -7.150694 -0.888533 1.539940
H -7.049197 1.704495 -1.576391
H -7.840407 0.323022 -2.390162
H -8.714226 1.015584 1.822582
H -7.579504 2.123723 0.997182
H -9.009280 -0.306664 -0.276824
H -9.347500 1.406676 -0.626233
H -4.356238 -0.502593 1.790346
H -4.499592 -1.602798 0.392134
H -3.369664 0.204208 -1.052579
H -3.156566 1.184915 0.446044
H 0.071639 -1.959946 0.898989
H -1.448495 1.563200 -1.153180
H 0.876382 2.139445 -1.842024
H 2.901838 1.239266 1.491037
H 5.794660 1.234046 -1.741075
H 4.726092 1.703711 3.138768
H 7.646390 1.685854 -0.083858
H 7.103192 1.922207 2.358187
H 4.375969 -3.050795 1.818252
H 3.027658 -4.117647 2.407394
H 3.588752 -4.197086 0.680253


