%chk=000046161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046161

0 1
 O    1.220900      -4.447100      0.4702000    
 O    2.787900      -2.128000      0.3159000    
 O    5.560900       3.342500      -1.311800    
 N   -1.445600      -2.014100     -0.3795000    
 N   -3.557700     -0.1258000     -1.6200000E-02
 C   -1.679100      -1.404000      0.9351000    
 C   -2.721800      -2.183000      -1.085400    
 C   -2.340000     -3.0500000E-02  0.7947000    
 C   -3.416400     -0.8354000      -1.293800    
 C  -0.7655000      -3.300700     -0.2345000    
 C   0.6177000      -3.151800      0.4036000    
 C   -4.533500      0.8730000      7.6800004E-02
 C    1.546100      -2.222500     -0.3752000    
 C   -4.184100       2.202600      0.3872000    
 C   -5.895100      0.5792000     -0.1368000    
 C   -5.156900       3.197900      0.4804000    
 C   -6.867900       1.574600     -4.3499999E-02
 C   -6.498700       2.884000      0.2651000    
 C    3.484000     -0.9577000      0.1729000    
 C    4.302800     -0.5124000       1.205200    
 C    3.367300     -0.2256000      -1.003800    
 C    5.012900      0.6792000       1.059300    
 C    4.077500      0.9661000      -1.149700    
 C    4.900400       1.418300     -0.1181000    
 C    5.641100       2.660700     -0.2707000    
 C    6.542700       3.160800      0.8527000    
 H  -0.7456000      -1.230000       1.478100    
 H   -2.308100      -2.053200       1.559100    
 H   -3.387200      -2.856900     -0.5288000    
 H   -2.549500      -2.634000      -2.070300    
 H   -1.636400      0.6719000      0.3292000    
 H   -2.573400      0.3398000       1.800800    
 H   -4.389100      -1.022200      -1.763100    
 H   -2.835800     -0.2146000      -1.988500    
 H  -0.6379000      -3.767400      -1.220900    
 H   -1.363900      -4.010800      0.3528000    
 H   0.5485000      -2.826100       1.446200    
 H    1.739500      -2.635500      -1.372400    
 H    1.068100      -1.240100     -0.4644000    
 H   -3.147600       2.487600      0.5490000    
 H   -6.208300     -0.4370000     -0.3658000    
 H    2.104700      -4.337700      0.8612000    
 H   -4.869700       4.218000      0.7179000    
 H   -7.913100       1.329900     -0.2083000    
 H   -7.256100       3.658900      0.3377000    
 H    4.392900      -1.085600       2.123700    
 H    2.761900     -0.5570000      -1.841900    
 H    5.641500      0.9944000       1.886300    
 H    3.978800       1.521300      -2.078900    
 H    7.007200       4.103400      0.5459000    
 H    5.953800       3.352500       1.753400    
 H    7.340400       2.439200       1.047100    


%chk=000046161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046161

0 1
O 1.334883 -3.903981 0.806004
O 2.667295 -1.384827 0.838033
O 6.736986 2.866882 -1.839762
N -1.590329 -1.730829 -0.039391
N -4.044929 -0.185122 0.006906
C -2.338368 -1.508989 1.224120
C -2.545118 -1.780752 -1.175673
C -3.144089 -0.197777 1.173761
C -3.333369 -0.464200 -1.261382
C -0.702357 -2.917447 0.017040
C 0.620218 -2.621926 0.747367
C -5.189449 0.654832 0.009144
C 1.450794 -1.569047 0.011700
C -5.448102 1.569613 1.074967
C -6.151509 0.579242 -1.045091
C -6.620625 2.355682 1.087310
C -7.311491 1.377173 -1.026998
C -7.563802 2.272733 0.039677
C 3.648557 -0.493921 0.393162
C 4.786648 -0.369032 1.230594
C 3.556271 0.258445 -0.807967
C 5.826386 0.502146 0.867985
C 4.606784 1.125536 -1.156417
C 5.755936 1.264873 -0.332538
C 6.839598 2.206189 -0.761885
C 8.075866 2.358574 0.121540
H -1.626964 -1.454110 2.067661
H -3.041709 -2.356486 1.423624
H -3.265553 -2.630563 -1.071799
H -1.975647 -1.922883 -2.112718
H -2.438819 0.666275 1.155323
H -3.744949 -0.132331 2.097003
H -4.052236 -0.527576 -2.092125
H -2.621097 0.362101 -1.490660
H -0.461463 -3.233168 -1.015524
H -1.179656 -3.791765 0.519063
H 0.426102 -2.251261 1.776604
H 1.740779 -1.938028 -0.992439
H 0.888711 -0.620646 -0.072889
H -4.727709 1.692837 1.888958
H -6.012663 -0.128405 -1.868857
H 2.236739 -3.727396 1.179526
H -6.786901 3.048992 1.920310
H -8.032182 1.287542 -1.848375
H -8.469476 2.887775 0.051041
H 4.829168 -0.958414 2.151481
H 2.682468 0.173449 -1.459786
H 6.697922 0.588388 1.524912
H 4.563238 1.717654 -2.076870
H 8.758467 3.086346 -0.342476
H 7.803022 2.713335 1.133032
H 8.603223 1.393369 0.238975


