%chk=000021725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021725

0 1
 O   -1.186400      -1.782800      0.3786000    
 O   0.6520000      -2.513400     -0.7987000    
 O    6.433400     -0.4259000     -0.3068000    
 O   -1.620800       4.406800      0.1889000    
 N   -3.940800      -1.266900     -2.8899999E-02
 C   0.8692000     -0.6576000      0.7776000    
 C   -3.424100      -2.612500      0.2185000    
 C   -1.996800      -2.741100     -0.2891000    
 C   -4.362000      -1.129300      -1.422500    
 C   -5.053900     -0.9731000      0.8729000    
 C    2.362900     -0.5953000      0.4871000    
 C   0.2006000      0.7022000      0.6201000    
 C   0.1410000      -1.769900      2.9400000E-02
 C   -4.845000      0.2815000      -1.713300    
 C   -6.217400      -1.921100      0.6359000    
 C    3.282700     -0.8932000       1.492600    
 C   0.1604000       1.589200       1.695900    
 C    2.811100     -0.2403000     -0.7852000    
 C  -0.3715000       1.060100     -0.6007000    
 C    4.650600     -0.8362000       1.225800    
 C  -0.4519000       2.834000       1.551000    
 C    4.179000     -0.1832000      -1.052000    
 C  -0.9838000       2.304900     -0.7456000    
 C    5.098700     -0.4810000     -4.6599999E-02
 C   -1.024000       3.191800      0.3302000    
 C    6.822600     -5.5799998E-02  -1.628800    
 C   -2.185800       4.708300      -1.086300    
 H   0.7555000     -0.9507000       1.833000    
 H   -3.392800      -2.803800       1.299500    
 H   -4.041200      -3.396200     -0.2372000    
 H   -1.930400      -2.601800      -1.373300    
 H   -1.626200      -3.745900     -5.2400000E-02
 H   -3.496200      -1.288300      -2.075800    
 H   -5.108800      -1.865300      -1.740600    
 H   -4.715300      -1.072900       1.912500    
 H   -5.382300      6.8800002E-02  0.7957000    
 H   -5.836000      0.4816000      -1.295100    
 H   -4.143700       1.035300      -1.338900    
 H   -4.926800      0.4248000      -2.796700    
 H   -6.700500      -1.781100     -0.3350000    
 H   -5.956000      -2.976000      0.7561000    
 H   -6.990700      -1.715400       1.386200    
 H    2.950100      -1.171300       2.488900    
 H   0.6036000       1.323200       2.651900    
 H    2.115100     -1.6100001E-02  -1.587900    
 H  -0.3500000      0.3904000      -1.455900    
 H    5.362400      -1.069400       2.012900    
 H  -0.4797000       3.520900       2.392400    
 H    4.458100      9.6699998E-02  -2.062000    
 H   -1.408000       2.518600      -1.720800    
 H    6.479400     -0.7869000      -2.368700    
 H    6.502400      0.9629000      -1.872200    
 H    7.917100     -6.2100001E-02  -1.657300    
 H   -1.419500       4.741700      -1.868100    
 H   -3.003800       4.023900      -1.335800    
 H   -2.618100       5.712000      -1.019200    


%chk=000021725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021725

0 1
O -0.873711 -2.308012 0.812039
O -0.607659 -1.352887 -1.303304
O 6.006184 -1.218501 -0.472544
O -1.227694 5.229445 0.170737
N -3.709024 -1.728263 0.087757
C 0.417088 -0.288627 0.704271
C -3.236118 -3.017917 0.623058
C -1.779199 -3.343043 0.247145
C -3.957675 -1.745072 -1.375538
C -4.761447 -1.090428 0.916623
C 1.905299 -0.492594 0.354065
C -0.071039 1.150454 0.490177
C -0.412215 -1.325056 -0.065791
C -4.215989 -0.345608 -1.963147
C -6.149054 -1.790486 0.922817
C 2.739433 -1.229664 1.234813
C 0.055542 2.069291 1.567143
C 2.466751 0.009349 -0.841890
C -0.601902 1.625062 -0.732056
C 4.095753 -1.454004 0.936121
C -0.333284 3.413235 1.433426
C 3.825703 -0.207975 -1.160155
C -0.999797 2.973891 -0.883968
C 4.643900 -0.942391 -0.265934
C -0.864639 3.871712 0.202056
C 6.617644 -0.711254 -1.702281
C -1.784196 5.747713 -1.079911
H 0.292487 -0.537245 1.772232
H -3.303305 -2.977637 1.726273
H -3.857178 -3.892502 0.292619
H -1.622398 -3.395274 -0.843870
H -1.467191 -4.290494 0.718041
H -3.048193 -2.146955 -1.857416
H -4.802766 -2.429027 -1.646893
H -4.375719 -1.034668 1.952758
H -4.881141 -0.045656 0.577893
H -5.179680 0.081993 -1.631731
H -3.404889 0.341773 -1.664430
H -4.238160 -0.402444 -3.066791
H -6.593787 -1.818442 -0.088835
H -6.076202 -2.829727 1.293616
H -6.848271 -1.244240 1.583190
H 2.320575 -1.635307 2.163829
H 0.469300 1.726322 2.523328
H 1.841422 0.581558 -1.534562
H -0.718475 0.931478 -1.571307
H 4.745768 -2.017420 1.612417
H -0.238915 4.121431 2.262289
H 4.229020 0.195937 -2.093618
H -1.409433 3.304417 -1.843443
H 6.134192 -1.141810 -2.601072
H 6.569977 0.394335 -1.750648
H 7.667939 -1.034874 -1.655928
H -1.058679 5.659233 -1.912338
H -2.722501 5.225284 -1.351598
H -1.994754 6.809393 -0.883531


