%chk=000060952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060952

0 1
 O    3.780600      -1.302800     -0.7500000    
 O   -1.334800      0.6263000      0.7865000    
 O    2.178500      -1.716000      0.8456000    
 O  -0.5508000     -0.4110000      -1.142300    
 N   0.8864000      0.6409000      0.3449000    
 C    3.178300       1.489800     -0.1248000    
 C    2.123300      0.3851000     -0.3509000    
 C    2.640000       2.863600     -0.5357000    
 C    3.700900       1.542300       1.314700    
 C    2.681000     -0.9918000     -7.7000000E-03
 C  -0.3484000      0.2218000     -0.1102000    
 C   -2.625300      0.2448000      0.4070000    
 C    4.368300      -2.581200     -0.4868000    
 C   -3.107300     -0.9715000      0.8356000    
 C   -3.362000       1.100300     -0.3807000    
 C   -4.394400      -1.352700      0.4562000    
 C   -4.649200      0.7194000     -0.7599000    
 C   -5.165300     -0.5072000     -0.3415000    
 H    4.041200       1.275400     -0.7695000    
 H    1.880000      0.3466000      -1.421400    
 H    2.271000       2.844400      -1.566500    
 H    3.431900       3.618600     -0.4808000    
 H    1.822700       3.192800      0.1144000    
 H    2.904300       1.775400       2.028200    
 H    4.156300      0.5922000       1.610700    
 H    4.470300       2.316000       1.414000    
 H   0.9182000       1.108200       1.245600    
 H    5.231900      -2.700400      -1.146400    
 H    3.650700      -3.379200     -0.7001000    
 H    4.709400      -2.634100      0.5515000    
 H   -2.507100      -1.629000       1.456700    
 H   -2.960300       2.054800     -0.7057000    
 H   -4.796200      -2.307600      0.7821000    
 H   -5.249400       1.377800      -1.381100    
 H   -6.167400     -0.8038000     -0.6368000    


%chk=000060952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060952

0 1
O 4.200234 -1.532024 -0.026631
O -1.270171 0.178941 0.607657
O 2.856313 -1.239551 1.853524
O -0.342844 -0.168253 -1.568135
N 0.963419 0.086405 0.365631
C 3.035626 1.182657 -0.631888
C 2.256805 -0.140123 -0.283955
C 2.228474 2.029125 -1.640328
C 3.384461 2.001134 0.631926
C 3.096412 -1.023390 0.642261
C -0.219082 0.010954 -0.331488
C -2.657113 0.169647 0.276621
C 5.117521 -2.374835 0.784211
C -3.193040 0.030004 -1.025185
C -3.495491 0.324455 1.404368
C -4.599683 0.048721 -1.175293
C -4.894717 0.340441 1.231287
C -5.454711 0.202534 -0.061248
H 3.976156 0.851005 -1.115595
H 2.074730 -0.679383 -1.231927
H 1.960822 1.448847 -2.540857
H 2.817833 2.910289 -1.953601
H 1.289469 2.393082 -1.185790
H 2.465975 2.326444 1.155207
H 4.002351 1.428048 1.347725
H 3.948132 2.909182 0.352142
H 0.931606 0.099074 1.388454
H 5.927208 -2.648022 0.094147
H 4.583984 -3.268287 1.148274
H 5.499575 -1.802050 1.645415
H -2.533077 -0.091050 -1.884675
H -3.039883 0.428749 2.393658
H -5.023842 -0.059374 -2.179862
H -5.544656 0.460090 2.104944
H -6.541492 0.214711 -0.196093


