%chk=000057955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057955

0 1
 O  -0.2260000       2.379300      -1.201300    
 O    5.490000      0.8019000      0.7026000    
 N   -4.407000      0.6281000     -7.1000002E-02
 N  -0.7428000      0.1489000     -0.5180000    
 N   0.3931000      -1.862200      -2.174800    
 C   -2.994200      0.6136000      0.3072000    
 C   -2.139000      0.1436000     -0.8603000    
 C   -4.840600     -0.7076000     -0.4792000    
 C   -5.227600       1.115600       1.037000    
 C  -0.1538000      -1.060700      6.6799998E-02
 C   9.2100002E-02   1.289500     -0.7268000    
 C   -6.290200     -0.6990000     -0.9339000    
 C   -4.790800       2.503400       1.474500    
 C   0.3764000      -1.994700     -0.7683000    
 C    1.512600       1.160400     -0.3498000    
 C  -0.1860000      -1.154300       1.425800    
 C   0.9301000      -3.136500     -0.1891000    
 C   0.3679000      -2.296100       2.005200    
 C    2.422700      0.7077000      -1.289600    
 C    1.905400       1.495100      0.9350000    
 C   0.9257000      -3.287100       1.197700    
 C    3.766100      0.5859000     -0.9340000    
 C    3.248700       1.373500       1.290600    
 C    4.179000      0.9188000      0.3560000    
 C    6.387900      0.3328000     -0.3021000    
 H   -2.836200     -2.3300000E-02   1.186000    
 H   -2.638600       1.616500      0.5668000    
 H   -2.285300      0.8089000      -1.720300    
 H   -2.365500     -0.8740000      -1.187200    
 H   -4.291800      -1.056600      -1.357100    
 H   -4.703000      -1.448800      0.3179000    
 H   -6.272200       1.219000      0.7260000    
 H   -5.203700      0.4343000       1.896800    
 H   -6.990800     -0.6210000     -9.6900001E-02
 H   -6.489500      0.1124000      -1.642300    
 H   -6.520700      -1.641000      -1.444600    
 H   -3.867400       2.487000       2.061900    
 H   -4.661800       3.178800      0.6217000    
 H   -5.559900       2.941100       2.121200    
 H  -0.6120000     -0.3828000       2.058000    
 H    1.369000      -3.916300     -0.8064000    
 H   0.3665000      -2.412200       3.085000    
 H    2.112700      0.4597000      -2.300600    
 H    1.187400       1.853000       1.667400    
 H    1.357700      -4.175600       1.648900    
 H   0.8011000      -2.588000      -2.748500    
 H  -1.3800000E-02  -1.043600      -2.607300    
 H    4.435500      0.2296000      -1.709500    
 H    3.564400       1.635100       2.296800    
 H    7.386400      0.3010000      0.1461000    
 H    6.144700     -0.6886000     -0.6140000    
 H    6.439900       1.024400      -1.149900    


%chk=000057955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057955

0 1
O -0.585257 2.341619 0.073889
O 5.727503 1.577317 0.752522
N -4.381237 0.362919 0.244032
N -0.619718 0.069046 -0.417111
N -0.160208 -1.697346 -2.561349
C -2.942084 0.268210 0.588920
C -2.083678 0.202850 -0.698547
C -5.101573 -0.931874 0.336963
C -5.076967 1.508375 0.883467
C -0.140421 -1.272926 -0.155280
C 0.059582 1.247329 -0.052478
C -6.334980 -1.010673 -0.584007
C -4.630477 2.864406 0.301950
C 0.032019 -2.164981 -1.262232
C 1.548541 1.217386 0.138884
C 0.099923 -1.723645 1.160419
C 0.420017 -3.509203 -1.002381
C 0.510283 -3.052165 1.408486
C 2.425253 0.352469 -0.561104
C 2.109788 2.197457 1.004539
C 0.656844 -3.942914 0.318043
C 3.823752 0.441333 -0.393521
C 3.496317 2.288243 1.194168
C 4.360992 1.405211 0.496648
C 6.666657 0.697145 0.050938
H -2.731931 -0.622026 1.222400
H -2.629106 1.160087 1.159251
H -2.248957 1.131806 -1.268748
H -2.395603 -0.660754 -1.313207
H -4.391549 -1.727117 0.039451
H -5.405319 -1.160369 1.391118
H -6.162437 1.387725 0.711582
H -4.928862 1.508256 1.993785
H -7.103461 -0.264664 -0.312293
H -6.037026 -0.825433 -1.630954
H -6.803136 -2.010873 -0.517040
H -3.542224 3.020565 0.414416
H -4.868035 2.911331 -0.775742
H -5.149409 3.695838 0.815410
H -0.033786 -1.018529 1.988497
H 0.549895 -4.204262 -1.841291
H 0.700836 -3.388444 2.432428
H 2.028738 -0.388900 -1.260101
H 1.432253 2.892780 1.509928
H 0.961254 -4.980760 0.495496
H -0.052665 -2.313619 -3.360896
H -0.378872 -0.716066 -2.716351
H 4.473678 -0.235260 -0.956139
H 3.935638 3.032248 1.865265
H 7.662870 1.003694 0.401813
H 6.489771 -0.365062 0.308289
H 6.599377 0.831118 -1.046124


