%chk=000058954.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058954

0 1
 O    4.735500       1.488200     -0.4458000    
 N   -1.949700      0.6459000      0.3025000    
 N   0.9956000      -2.410800      0.4866000    
 C   -1.774000      0.5199000      -1.148700    
 C   -2.885500       1.707200      0.6885000    
 C   -3.058600      0.3034000      -1.956800    
 C   -4.162500       1.121200       1.300800    
 C   -3.879100     -0.9290000      -1.576200    
 C   -5.057600      0.2965000      0.3683000    
 C   -4.423500     -0.9980000     -0.1463000    
 C  -0.6521000      0.8130000      0.9576000    
 C   0.2589000     -0.3534000      0.7057000    
 C    1.619200     -0.2731000      0.3499000    
 C  -0.1104000      -1.661500      0.7861000    
 C    2.066600      -1.589200      0.2160000    
 C    2.529100      0.7788000      0.1244000    
 C    3.383900      -1.907200     -0.1335000    
 C    3.849800      0.4758000     -0.2261000    
 C    4.268400     -0.8473000     -0.3523000    
 C    4.245900       2.819500     -0.3007000    
 H   -1.125700     -0.3268000      -1.398700    
 H   -1.275800       1.416300      -1.542900    
 H   -3.132500       2.377800     -0.1429000    
 H   -2.439900       2.362900       1.449100    
 H   -2.771200      0.1973000      -3.011600    
 H   -3.689800       1.198000      -1.927100    
 H   -4.762200       1.956100       1.686100    
 H   -3.899200      0.5132000       2.176500    
 H   -3.285000      -1.831800      -1.765700    
 H   -4.731700     -0.9812000      -2.266100    
 H   -5.426900      0.9161000     -0.4564000    
 H   -5.946000      2.0300001E-02  0.9518000    
 H   -5.193500      -1.781200     -0.1394000    
 H   -3.649700      -1.355800      0.5422000    
 H  -0.7925000      0.8772000       2.045200    
 H  -0.1808000       1.751500      0.6401000    
 H   -1.048100      -2.142200       1.028200    
 H    1.022900      -3.420800      0.4671000    
 H    2.153400       1.788100      0.2366000    
 H    3.710600      -2.936900     -0.2321000    
 H    5.298100      -1.066600     -0.6252000    
 H    3.462900       3.043600      -1.033100    
 H    5.081400       3.495300     -0.5119000    
 H    3.925500       3.022000      0.7269000    


%chk=000058954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058954

0 1
O 5.003037 1.381061 -0.311777
N -2.013887 0.766190 0.159101
N 0.982085 -2.414832 0.495044
C -1.966144 0.689264 -1.321900
C -3.036893 1.700269 0.707133
C -3.320081 0.399990 -2.000415
C -4.215582 0.982492 1.410085
C -4.009615 -0.934937 -1.628408
C -5.127351 0.102187 0.514933
C -4.417011 -1.120066 -0.139708
C -0.661203 0.948788 0.746011
C 0.237810 -0.254263 0.570517
C 1.668613 -0.242231 0.325252
C -0.141131 -1.594991 0.668673
C 2.109988 -1.610366 0.282325
C 2.614673 0.805274 0.131981
C 3.462022 -1.954976 0.056559
C 3.959584 0.453369 -0.098398
C 4.382345 -0.911912 -0.133579
C 4.645771 2.797302 -0.298585
H -1.246278 -0.108305 -1.587388
H -1.558612 1.643334 -1.755265
H -3.430342 2.365874 -0.091346
H -2.556408 2.373023 1.447440
H -3.137952 0.405411 -3.094768
H -4.019793 1.238172 -1.813378
H -4.841964 1.757341 1.902430
H -3.795905 0.348548 2.217272
H -3.348477 -1.776802 -1.921705
H -4.920761 -1.022726 -2.256789
H -5.600284 0.730552 -0.268047
H -5.959401 -0.260558 1.151148
H -5.084407 -2.004386 -0.086385
H -3.517110 -1.358525 0.455212
H -0.796259 1.154822 1.826156
H -0.143335 1.848632 0.317530
H -1.132912 -2.010214 0.834508
H 0.976026 -3.431847 0.503242
H 2.292419 1.850096 0.164706
H 3.795201 -2.998323 0.028285
H 5.442156 -1.115593 -0.313114
H 3.914252 3.037946 -1.095945
H 5.586567 3.336668 -0.485152
H 4.230746 3.101548 0.683208


