%chk=000039102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039102

0 1
 O  -2.6000000E-03  0.5680000      0.7111000    
 O   7.7000000E-03 -0.6879000       2.646800    
 N   -1.236900       3.410900      0.1965000    
 C   1.9500000E-02  -1.783600      0.4739000    
 C    1.293500      -2.618600      0.7016000    
 C   -1.238800      -2.642400      0.7007000    
 C    2.515000      -2.017000      4.7400001E-02
 C   -2.470600      -2.063900      4.5200001E-02
 C   7.7000000E-03 -0.5946000       1.425900    
 C    3.294300      -1.120400      0.7605000    
 C   -2.780600      -2.426100      -1.255600    
 C    2.832600      -2.372800      -1.253400    
 C   -3.266800      -1.181600      0.7573000    
 C  -1.4200000E-02   1.768500       1.489300    
 C    4.422000     -0.5647000      0.1562000    
 C   -3.918200      -1.891500      -1.860700    
 C    3.960300      -1.817200      -1.857600    
 C   -4.404300     -0.6471000      0.1523000    
 C    4.754900     -0.9131000      -1.152900    
 C   -4.729900      -1.002000      -1.156700    
 C  -2.4499999E-02   2.950800      0.5657000    
 C    1.179000       3.490500      0.1536000    
 C    1.134900       4.585600     -0.7021000    
 C   -1.240100       4.476300     -0.6358000    
 C  -9.3699999E-02   5.094000      -1.109100    
 H   1.6400000E-02  -1.413500     -0.5605000    
 H    1.484700      -2.760500       1.773600    
 H    1.160400      -3.630800      0.2966000    
 H   -1.086300      -3.652000      0.2961000    
 H   -1.428300      -2.787700       1.772500    
 H    3.045300     -0.8431000       1.780700    
 H   -2.153200      -3.115700      -1.813000    
 H    2.218300      -3.073600      -1.811300    
 H   -3.023700     -0.8994000       1.777500    
 H  -0.9149000       1.786300       2.115400    
 H   0.8639000       1.799000       2.145800    
 H    5.040700      0.1395000      0.7048000    
 H   -4.171300      -2.167100      -2.880300    
 H    4.219100      -2.087700      -2.877000    
 H   -5.036300      4.5600001E-02  0.7003000    
 H    5.632800     -0.4801000      -1.623500    
 H   -5.615300     -0.5854000      -1.628100    
 H    2.131600       3.084000      0.4751000    
 H    2.056200       5.041500      -1.051800    
 H   -2.223200       4.834200     -0.9236000    
 H  -0.1520000       5.946600      -1.775900    


%chk=000039102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039102

0 1
O -0.585415 0.477271 0.095018
O -0.284680 -0.495547 2.200117
N -0.300358 4.140095 0.326090
C -0.125822 -1.886403 0.167784
C 1.302045 -2.453469 0.454620
C -1.213181 -2.930248 0.583279
C 2.427375 -1.527676 0.015804
C -2.633320 -2.497357 0.248964
C -0.331860 -0.595095 0.951315
C 3.092812 -0.696213 0.953599
C -3.175779 -2.733508 -1.040658
C 2.822449 -1.463524 -1.346361
C -3.435808 -1.829226 1.209829
C -0.833292 1.808233 0.705576
C 4.128359 0.173974 0.542505
C -4.484155 -2.311468 -1.366012
C 3.855775 -0.594033 -1.762095
C -4.745286 -1.405438 0.888495
C 4.513954 0.228210 -0.816828
C -5.274164 -1.644251 -0.400925
C 0.081112 2.847271 0.084487
C 1.241111 2.512842 -0.652942
C 2.041795 3.560932 -1.159833
C 0.485956 5.138056 -0.168155
C 1.662494 4.900507 -0.915803
H -0.226162 -1.654449 -0.907309
H 1.375553 -2.659495 1.538789
H 1.379583 -3.423597 -0.073911
H -0.971737 -3.877643 0.063202
H -1.109558 -3.112555 1.669509
H 2.794853 -0.731560 2.008359
H -2.571069 -3.256856 -1.792704
H 2.323203 -2.105172 -2.083807
H -3.031194 -1.642436 2.212182
H -1.887336 2.065878 0.510981
H -0.673783 1.738329 1.797867
H 4.632538 0.806999 1.281207
H -4.888614 -2.505640 -2.365998
H 4.152965 -0.563999 -2.816662
H -5.352678 -0.893713 1.643743
H 5.323512 0.895169 -1.134535
H -6.290425 -1.318523 -0.649696
H 1.500729 1.465473 -0.824862
H 2.946252 3.330499 -1.733026
H 0.150751 6.159843 0.045074
H 2.255600 5.739714 -1.292777


