%chk=000017986.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017986

0 1
 O    1.030600      0.6395000       1.737200    
 O  -0.8162000       1.305600     -7.4100003E-02
 O    1.045500       2.231800      -1.056100    
 N   -4.957700      0.4660000     -0.3760000    
 C    1.289300      0.2582000      0.3706000    
 C    2.795400      0.2555000      9.7800002E-02
 C   0.6827000      -1.120000      9.7400002E-02
 C   -3.083700       2.040500     -0.3091000    
 C   -3.562000      0.6606000     -0.7493000    
 C   0.5314000       1.387100     -0.3326000    
 C   -1.633400       2.281800     -0.7053000    
 C   -5.069500      0.1264000       1.043700    
 C    3.274600      0.5726000      -1.173300    
 C   0.6134000      -2.066600       1.119800    
 C    3.689000     -6.3900001E-02   1.120300    
 C   0.1986000      -1.429600      -1.173600    
 C   -5.570200     -0.5798000      -1.197600    
 C   -6.523300     -1.4300000E-02   1.461600    
 C    4.647000      0.5703000      -1.422100    
 C   6.0300000E-02  -3.322600      0.8709000    
 C    5.061600     -6.6000000E-02  0.8715000    
 C  -0.3546000      -2.685700      -1.422300    
 C    1.534800       1.933700       2.000100    
 C    5.540500      0.2511000     -0.3997000    
 C  -0.4237000      -3.632200     -0.3999000    
 H   -3.153300       2.143600      0.7791000    
 H   -3.712800       2.820000     -0.7556000    
 H   -2.926000     -0.1382000     -0.3471000    
 H   -3.454900      0.6197000      -1.841600    
 H   -1.520900       2.212500      -1.793500    
 H   -1.327500       3.282100     -0.3777000    
 H   -4.638600      0.9193000       1.663500    
 H   -4.530100     -0.7988000       1.284200    
 H    2.612400      0.7700000      -2.010200    
 H   0.9911000      -1.852500       2.115700    
 H    3.343200     -0.3325000       2.114700    
 H   0.2508000     -0.7134000      -1.988900    
 H   -5.425500     -0.3652000      -2.263300    
 H   -6.655500     -0.6221000      -1.063500    
 H   -5.145800      -1.569800     -0.9942000    
 H   -7.121600      0.8448000       1.139300    
 H   -6.982600     -0.9302000       1.077300    
 H   -6.587500     -6.5800004E-02   2.554400    
 H    5.019800      0.8038000      -2.415100    
 H   8.2000000E-03  -4.060400       1.666300    
 H    5.757300     -0.3193000       1.666000    
 H  -0.7297000      -2.927700      -2.412400    
 H    2.405700       2.263800       1.426900    
 H   0.7343000       2.673300       1.884000    
 H    1.817900       1.962100       3.057900    
 H    6.608900      0.2453000     -0.5945000    
 H  -0.8537000      -4.610500     -0.5938000    


%chk=000017986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017986

0 1
O 1.660266 0.985211 2.079680
O -0.841126 1.434154 0.141413
O 0.939176 2.867405 -0.247399
N -4.863892 0.220697 -0.793153
C 1.379598 0.581660 0.666466
C 2.691951 0.362599 -0.107945
C 0.581363 -0.731916 0.764364
C -3.200777 1.961188 -0.057957
C -3.513133 0.800071 -1.027700
C 0.505778 1.740472 0.103338
C -1.793668 2.527355 -0.240407
C -4.878426 -0.698923 0.377576
C 3.024312 1.014796 -1.319203
C 0.012028 -1.154383 1.987693
C 3.605867 -0.578723 0.437953
C 0.384322 -1.515165 -0.399458
C -5.405896 -0.420436 -2.011331
C -6.297533 -1.009888 0.888643
C 4.244012 0.723632 -1.975676
C -0.741169 -2.349221 2.046018
C 4.825265 -0.859528 -0.209737
C -0.376088 -2.702584 -0.342943
C 2.578642 2.122929 2.265980
C 5.148644 -0.209964 -1.425644
C -0.943780 -3.125236 0.882145
H -3.315285 1.632128 0.991102
H -3.935372 2.772379 -0.223629
H -2.709712 0.027665 -0.951618
H -3.487752 1.192897 -2.063210
H -1.580370 2.818004 -1.286414
H -1.598500 3.398382 0.410546
H -4.308523 -0.217952 1.192927
H -4.341047 -1.654595 0.140958
H 2.351040 1.762597 -1.746070
H 0.169200 -0.547000 2.882185
H 3.347232 -1.087024 1.373702
H 0.833515 -1.202476 -1.349336
H -5.417902 0.309481 -2.840198
H -6.445802 -0.745939 -1.839246
H -4.815394 -1.313711 -2.341490
H -6.836725 -0.070769 1.105335
H -6.890331 -1.586240 0.155876
H -6.245864 -1.608378 1.816969
H 4.487150 1.235071 -2.913866
H -1.172529 -2.671340 3.000903
H 5.519143 -1.586889 0.226458
H -0.519921 -3.300333 -1.250254
H 3.579663 1.902275 1.851478
H 2.185157 3.044362 1.799501
H 2.643306 2.245888 3.358672
H 6.093459 -0.430335 -1.935186
H -1.529571 -4.050451 0.928992


