%chk=000001814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001814

0 1
 O   -1.590700     -0.1664000      0.9176000    
 O   -3.806100       1.277400     -0.5150000    
 O   -4.807300      -1.728400      0.1964000    
 O   0.9553000       2.983800      0.1187000    
 O    4.456400      2.6000000E-03  0.1773000    
 N   0.4488000      0.7048000      0.1632000    
 N    2.691900       1.486000      0.1475000    
 C  -0.9740000      0.8856000      0.1600000    
 C   -2.940200      0.2494000     -0.9801000    
 C   -1.576000      0.8472000      -1.237600    
 C   -2.622800     -0.7650000      0.1111000    
 C   -3.785300      -1.162900       1.001400    
 C   0.9565000     -0.5902000      0.1882000    
 C    1.330600       1.809800      0.1414000    
 C    2.259700     -0.8966000      0.1939000    
 C    3.246800      0.2154000      0.1725000    
 C    2.780000      -2.297900      0.2209000    
 C    2.976400      -2.854600      -1.177500    
 H   -1.226100       1.831700      0.6537000    
 H   -3.382200     -0.1998000      -1.874200    
 H   -1.000900      0.1864000      -1.897900    
 H   -1.603200       1.843200      -1.690700    
 H   -2.193200      -1.661700     -0.3541000    
 H   -4.184900     -0.3072000       1.555900    
 H   -3.460500      -1.903600       1.740300    
 H   0.2349000      -1.399900      0.1819000    
 H   -4.693600      0.8915000     -0.4212000    
 H    3.342600       2.266400      0.1323000    
 H    3.720400      -2.354200      0.7813000    
 H    2.077000      -2.944600      0.7615000    
 H   -5.533400      -1.980300      0.7919000    
 H    3.348200      -3.883000      -1.125500    
 H    3.703600      -2.262600      -1.743400    
 H    2.035900      -2.865900      -1.738800    


%chk=000001814-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001814

0 1
O -1.647293 -0.503952 0.893109
O -3.909209 1.041266 -1.019695
O -5.344272 -0.603190 0.593607
O 0.639140 2.734999 0.612718
O 4.505446 0.114686 0.475562
N 0.412468 0.430404 0.140845
N 2.539237 1.369138 0.529708
C -1.050580 0.553368 0.033891
C -3.076048 -0.160718 -1.077643
C -1.635229 0.291204 -1.370306
C -2.960599 -0.883606 0.309591
C -4.050663 -0.464492 1.308034
C 1.025891 -0.816363 -0.015759
C 1.159055 1.598109 0.445903
C 2.383228 -1.016390 0.068712
C 3.244855 0.140521 0.360544
C 3.032456 -2.371863 -0.115384
C 3.779442 -2.501052 -1.469281
H -1.312613 1.557323 0.406785
H -3.464819 -0.859488 -1.843393
H -1.066509 -0.507088 -1.879518
H -1.634155 1.195190 -1.998247
H -2.956869 -1.981356 0.179935
H -3.885622 0.586283 1.611359
H -4.022837 -1.118811 2.198481
H 0.332288 -1.645432 -0.176574
H -4.802412 0.748781 -0.678080
H 3.108899 2.193882 0.744613
H 3.761079 -2.530091 0.701906
H 2.264521 -3.164251 -0.031638
H -6.095357 -0.564860 1.234428
H 4.246966 -3.498414 -1.559084
H 4.576415 -1.741542 -1.541074
H 3.088297 -2.365795 -2.321154


