%chk=000056545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056545

0 1
 O   -3.015500       1.147200      -1.218200    
 O   0.3603000     -6.6500001E-02 -0.8939000    
 O  -0.7136000       1.114000      -2.556500    
 N    4.068400      -1.556200      0.8314000    
 C   -1.640200       1.416800      0.6844000    
 C   -2.853600       1.609800       1.588300    
 C   -1.281600       2.851700      0.3105000    
 C   -1.925000      0.5374000     -0.5206000    
 C   -2.494500       2.829900       2.430100    
 C   -1.491700       3.635500       1.602400    
 C   -2.337800     -0.8982000     -0.2243000    
 C  -0.7158000      0.5783000      -1.454700    
 C   -3.257600      -1.510700      -1.050000    
 C   -1.779500      -1.541300      0.8609000    
 C    2.740100     -0.1293000     -0.7585000    
 C    1.542700     -9.7999997E-02  -1.668500    
 C    2.772300      -1.327900      0.1740000    
 C    3.716800      0.8034000     -0.7216000    
 C    4.833600      0.7053000      0.2961000    
 C    4.569700     -0.3103000       1.411600    
 C   -3.635900      -2.825600     -0.7782000    
 C   -2.157800      -2.856200       1.132500    
 C    3.826400       1.990700      -1.637500    
 C   -3.086000      -3.498300      0.3131000    
 C    3.955800      -2.601400       1.847100    
 H  -0.8065000       1.024000       1.281700    
 H   -3.764700       1.827000       1.018600    
 H   -3.058000      0.7404000       2.220500    
 H   -1.940400       3.274800     -0.4543000    
 H  -0.2517000       2.949600     -4.8099998E-02
 H   -3.382900       3.418600       2.680100    
 H   -2.030600       2.519100       3.373400    
 H  -0.5475000       3.728400       2.151300    
 H   -1.853300       4.648700       1.399700    
 H   -2.689300       1.909300      -1.724200    
 H   -3.689600      -1.021400      -1.917200    
 H   -1.042100      -1.080200       1.507600    
 H    1.579700      0.7409000      -2.365000    
 H    1.530900      -1.011500      -2.274900    
 H    1.980200      -1.197500      0.9241000    
 H    2.530000      -2.226500     -0.4074000    
 H    5.758000      0.4367000     -0.2315000    
 H    4.997600       1.686600      0.7581000    
 H    3.855900      0.1022000       2.137500    
 H    5.511300     -0.4844000       1.946700    
 H   -4.355200      -3.327600      -1.418800    
 H   -1.726100      -3.381900       1.979200    
 H    3.604200       2.910000      -1.085800    
 H    4.847400       2.066300      -2.028100    
 H    3.169800       1.950900      -2.507300    
 H    3.265100      -2.325300       2.652100    
 H    4.935000      -2.812100       2.291100    
 H    3.606300      -3.537800       1.398300    
 H   -3.378900      -4.522800      0.5233000    


%chk=000056545-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056545

0 1
O -2.952428 1.165347 -1.514379
O 0.462041 0.077707 -0.813673
O -0.701065 0.513923 -2.781563
N 4.476098 -1.710667 0.569060
C -1.664371 1.533615 0.536415
C -2.934450 1.854843 1.367637
C -1.112481 2.928058 0.097006
C -1.938536 0.560666 -0.650196
C -2.536271 3.145584 2.120005
C -1.782198 3.978896 1.044581
C -2.412293 -0.826568 -0.148972
C -0.670835 0.380553 -1.528935
C -3.703724 -1.289370 -0.495373
C -1.589877 -1.629754 0.683227
C 2.888533 -0.212926 -0.672255
C 1.736046 -0.130243 -1.631234
C 3.216950 -1.620461 -0.192610
C 3.573618 0.886519 -0.232476
C 4.693172 0.732198 0.788696
C 4.617779 -0.607766 1.541744
C -4.168160 -2.536801 -0.020109
C -2.056434 -2.875036 1.158441
C 3.294947 2.313779 -0.660191
C -3.347702 -3.334934 0.808794
C 4.676800 -3.047074 1.153811
H -0.923624 1.040498 1.194724
H -3.778166 2.055723 0.681483
H -3.225465 1.027745 2.038567
H -1.388989 3.129655 -0.953718
H -0.009425 2.953193 0.166987
H -3.405339 3.681904 2.541917
H -1.857430 2.898307 2.960373
H -1.047793 4.672933 1.491981
H -2.505956 4.591324 0.475579
H -2.632152 1.063011 -2.454926
H -4.331978 -0.655551 -1.127516
H -0.583002 -1.289358 0.947701
H 1.798322 0.704499 -2.347581
H 1.586377 -1.066128 -2.198637
H 2.338779 -1.998345 0.403850
H 3.297531 -2.293923 -1.071072
H 5.670757 0.808374 0.271116
H 4.650242 1.572313 1.511387
H 3.765891 -0.580312 2.270503
H 5.543574 -0.771224 2.123719
H -5.171278 -2.882553 -0.295111
H -1.411746 -3.487470 1.799512
H 2.872590 2.891772 0.186038
H 4.237095 2.819438 -0.948484
H 2.589130 2.399626 -1.501917
H 3.905484 -3.318559 1.919468
H 5.670295 -3.098736 1.633599
H 4.643824 -3.811575 0.356131
H -3.708107 -4.302069 1.177477


