%chk=000026084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026084

0 1
 O   -2.012800     -0.1389000     -0.2279000    
 O    2.832200       2.319600      0.2837000    
 O    2.942800      -2.416300     -0.4198000    
 O    4.214000     -7.9499997E-02  0.3526000    
 N   -5.654900     -0.3104000      0.3118000    
 C   -4.230900     -0.3433000      0.6435000    
 C   -3.384900     -0.1159000     -0.5990000    
 C   0.2649000      1.4100000E-02 -0.8999000    
 C   -1.165200      4.7899999E-02  -1.353100    
 C   0.9489000      -1.196100     -0.8699000    
 C   0.8928000       1.193000     -0.5149000    
 C    2.222500       1.161700     -9.4300002E-02
 C    2.278400      -1.227400     -0.4492000    
 C    2.915300     -4.8500001E-02 -6.1400000E-02
 C   -6.007800      0.9706000     -0.2991000    
 C   -6.463900     -0.5467000       1.507000    
 C    2.053500       3.512800      0.2206000    
 C    2.873800      -3.167500      0.7907000    
 C    4.481100      0.3708000       1.678800    
 H   -3.964300      -1.318300       1.071700    
 H   -3.973400      0.4037000       1.406800    
 H   -3.578700     -0.8994000      -1.341800    
 H   -3.575300      0.8613000      -1.052800    
 H   -1.386000       1.007300      -1.837800    
 H   -1.344200     -0.7421000      -2.093400    
 H   0.4554000      -2.117000      -1.169800    
 H   0.3018000       2.101500     -0.5587000    
 H   -5.655200       1.827700      0.2862000    
 H   -7.097300       1.060900     -0.3919000    
 H   -5.634600       1.051300      -1.324700    
 H   -7.528900     -0.5814000       1.251600    
 H   -6.316100      0.2290000       2.267100    
 H   -6.218600      -1.517400       1.952300    
 H    2.696100       4.334100      0.5547000    
 H    1.751300       3.744300     -0.8065000    
 H    1.202200       3.476300      0.9088000    
 H    3.298300      -2.598800       1.623800    
 H    1.837700      -3.442000       1.012700    
 H    3.457400      -4.082800      0.6594000    
 H    5.312500     -0.2205000       2.073800    
 H    4.789500       1.419900       1.663500    
 H    3.620500      0.2353000       2.343300    


%chk=000026084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026084

0 1
O -2.216926 -0.165532 -0.087533
O 2.232656 1.870257 1.190859
O 3.393669 -2.314950 -1.094490
O 4.214126 0.156103 0.268576
N -5.900377 0.452104 0.177214
C -4.445286 0.602485 0.413675
C -3.626691 -0.386368 -0.428507
C 0.120037 -0.755405 -0.467918
C -1.324980 -1.064314 -0.821239
C 1.135383 -1.639549 -0.876283
C 0.452372 0.419114 0.244767
C 1.805628 0.705541 0.524173
C 2.495525 -1.365697 -0.586721
C 2.851177 -0.178027 0.113929
C -6.344652 1.031676 -1.107264
C -6.712389 0.945241 1.308066
C 1.209434 2.862595 1.528248
C 4.700516 -2.531811 -0.451587
C 4.697785 0.335602 1.653675
H -4.237423 0.388867 1.477749
H -4.082585 1.641241 0.209930
H -3.933337 -1.425877 -0.185931
H -3.779024 -0.222759 -1.518281
H -1.487425 -0.933142 -1.916479
H -1.564467 -2.122823 -0.574061
H 0.911088 -2.565486 -1.416492
H -0.356767 1.079492 0.561225
H -6.201332 2.141724 -1.159974
H -7.418038 0.817927 -1.256796
H -5.793172 0.577306 -1.948025
H -7.778990 0.725146 1.120539
H -6.616017 2.047728 1.481450
H -6.415785 0.425359 2.236104
H 1.759853 3.696072 1.989801
H 0.683019 3.216110 0.621242
H 0.472622 2.455312 2.247175
H 5.392943 -1.703587 -0.667235
H 4.590548 -2.646245 0.644450
H 5.067190 -3.474947 -0.887500
H 5.770205 0.566312 1.557095
H 4.166774 1.167753 2.143845
H 4.563017 -0.597645 2.237030


