%chk=000018111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018111

0 1
 O   0.9563000       2.437300      -1.625700    
 N   -2.881400     -1.7500000E-02  0.3731000    
 N   0.6316000      0.3580000      -2.482600    
 C   0.9561000      0.5664000     -1.7999999E-02
 C  -0.4321000     -0.1515000      0.2071000    
 C    1.126800       1.673600       1.113200    
 C   -1.667100      0.7640000      0.1405000    
 C   -3.044800      -1.037000     -0.6727000    
 C   -4.054700      0.8647000      0.4430000    
 C   -4.284300      -1.896000     -0.4172000    
 C   -5.327200      6.8000004E-02  0.7349000    
 C    2.163700     -0.4089000      2.9700000E-02
 C   -5.537800      -1.037400     -0.2936000    
 C   0.8234000       1.228100      -1.430400    
 C    2.365400       2.570600      0.9523000    
 C    1.116900       1.123400       2.550300    
 C    3.234400     -0.1348000     -0.7717000    
 C    2.082300      -1.481500      0.8703000    
 C    4.319300      -1.010600     -0.7289000    
 C    3.167300      -2.357200      0.9131000    
 C    4.285800      -2.121600      0.1135000    
 H  -0.4679000     -0.6624000       1.174200    
 H  -0.4845000     -0.9498000     -0.5376000    
 H   0.2837000       2.369800       1.031300    
 H   -1.721500       1.288000     -0.8207000    
 H   -1.600400       1.521500      0.9269000    
 H   -2.219700      -1.751900     -0.6937000    
 H   -3.111500     -0.5755000      -1.666700    
 H   -4.178500       1.425200     -0.4931000    
 H   -3.922100       1.598700       1.247200    
 H   -4.147100      -2.476300      0.5043000    
 H   -4.411000      -2.616900      -1.232900    
 H   -6.192500      0.7404000      0.7371000    
 H   -5.262400     -0.3733000       1.737600    
 H   -5.773400     -0.5912000      -1.267600    
 H   -6.393400      -1.659100     -8.2000000E-03
 H    3.289200       2.013800       1.140600    
 H    2.453000       3.041900     -2.6400000E-02
 H    2.333700       3.384700       1.686600    
 H    1.992600      0.5041000       2.763000    
 H   0.2142000      0.5507000       2.773700    
 H    1.138100       1.954000       3.266100    
 H    3.300500      0.7331000      -1.417500    
 H    1.244400      -1.693300       1.520500    
 H   0.5795000     -0.6480000      -2.363800    
 H   0.5558000      0.7041000      -3.433200    
 H    5.192900     -0.8241000      -1.346800    
 H    3.143800      -3.220200       1.572400    
 H    5.131400      -2.802100      0.1487000    


%chk=000018111-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018111

0 1
O 0.564612 2.538475 -1.607297
N -2.901787 -0.053041 0.226491
N 1.149976 0.526431 -2.575313
C 0.965032 0.603259 -0.082402
C -0.402752 -0.174290 0.022132
C 1.073272 1.708404 1.050094
C -1.673364 0.679752 -0.183230
C -3.257779 -1.148986 -0.712937
C -4.048343 0.876395 0.417435
C -4.472047 -1.952506 -0.203095
C -5.283842 0.135615 0.968319
C 2.153173 -0.385132 -0.009150
C -5.685505 -1.025293 0.031375
C 0.906561 1.325335 -1.470356
C 2.391204 2.519764 1.007321
C 0.858486 1.136350 2.471207
C 3.417513 -0.040753 -0.568112
C 2.054253 -1.635599 0.658852
C 4.528135 -0.904996 -0.467887
C 3.164381 -2.504925 0.762400
C 4.408652 -2.145956 0.199453
H -0.492808 -0.637909 1.019416
H -0.381465 -0.999450 -0.715378
H 0.263649 2.429752 0.828695
H -1.738532 1.032346 -1.242213
H -1.612123 1.586797 0.445017
H -2.388599 -1.821805 -0.823191
H -3.491061 -0.737381 -1.732685
H -4.325772 1.379560 -0.547808
H -3.734674 1.669838 1.121608
H -4.196681 -2.446435 0.748965
H -4.720179 -2.745786 -0.934675
H -6.119457 0.852297 1.086267
H -5.040022 -0.265902 1.971069
H -6.026841 -0.612010 -0.940605
H -6.533801 -1.594048 0.457204
H 3.265101 1.898628 1.274441
H 2.557046 2.968638 0.013052
H 2.332708 3.347455 1.738249
H 1.601607 0.351125 2.705487
H -0.151626 0.712796 2.614218
H 0.983570 1.944165 3.215795
H 3.534035 0.914557 -1.091496
H 1.104854 -1.945625 1.105368
H 1.505595 -0.423941 -2.480515
H 1.053147 0.940359 -3.502298
H 5.486301 -0.608544 -0.909722
H 3.053669 -3.462384 1.284283
H 5.269326 -2.819396 0.278353


