%chk=000063159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063159

0 1
 O    1.815600      -2.525300     -0.1883000    
 O  -0.8127000       2.144900     -0.9198000    
 N   0.3185000      0.3061000      2.2700001E-02
 N  -0.9536000      -1.544300      0.8092000    
 N   -5.730500      0.9462000     -0.7652000    
 C   0.1859000     -0.9631000      0.5911000    
 C    1.592000      0.9621000     -9.3000002E-02
 C   -2.113500      0.3515000     -0.2078000    
 C  -0.8133000       1.020000     -0.4252000    
 C   -2.129000     -0.8924000      0.4232000    
 C    2.077900       1.748900      0.9448000    
 C    1.417100      -1.774700      0.9391000    
 C   -3.306900      0.9666000     -0.6041000    
 C    2.328000      0.7949000      -1.260600    
 C   -3.358900      -1.519300      0.6548000    
 C   -4.525100      0.3312000     -0.3680000    
 C    3.316300       2.377200      0.8134000    
 C   -4.551800     -0.9107000      0.2621000    
 C    1.302300       1.941200       2.207600    
 C    3.566400       1.423300      -1.392000    
 C    4.060600       2.214400     -0.3550000    
 C    2.973000      -3.311800      7.9200000E-02
 C    3.341800      -4.086500      -1.168100    
 H    1.163900      -2.456600       1.760300    
 H    2.235000      -1.132300       1.275400    
 H   -3.295300       1.937700      -1.093000    
 H    1.952300      0.1797000      -2.073900    
 H   -3.394300      -2.491300       1.141300    
 H    3.716600       2.997000       1.611400    
 H   -5.494700      -1.417200      0.4521000    
 H    1.830600       2.591000       2.914000    
 H   0.3354000       2.410400       1.998600    
 H    1.139300      0.9825000       2.710400    
 H    4.146100       1.296000      -2.301600    
 H    5.025000       2.703400     -0.4574000    
 H    3.804100      -2.658400      0.3673000    
 H    2.765100      -4.007500      0.8996000    
 H   -5.712000       1.846500      -1.225500    
 H   -6.614100      0.4841000     -0.5966000    
 H    4.229200      -4.702400     -0.9979000    
 H    2.515400      -4.734900      -1.477500    
 H    3.539500      -3.403700      -2.001100    


%chk=000063159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063159

0 1
O 1.895827 -2.484051 -0.240982
O -0.704835 2.184890 -0.694068
N 0.248309 0.186766 0.107876
N -1.099100 -1.699860 0.787259
N -5.797948 1.112208 -0.638172
C 0.081680 -1.126697 0.616820
C 1.578971 0.771740 -0.045101
C -2.184462 0.349306 -0.099425
C -0.871314 1.003731 -0.266639
C -2.248395 -0.979222 0.430408
C 2.032608 1.738783 0.893563
C 1.313862 -1.915280 0.989135
C -3.358664 1.049146 -0.453248
C 2.373172 0.375538 -1.141734
C -3.528017 -1.580951 0.593029
C -4.627708 0.440835 -0.291679
C 3.327625 2.281419 0.699351
C -4.692117 -0.891110 0.241174
C 1.158539 2.199010 2.042449
C 3.657790 0.933845 -1.316516
C 4.136368 1.888258 -0.390599
C 3.187797 -3.140589 0.024935
C 3.681545 -3.728199 -1.296218
H 0.995190 -2.727917 1.669626
H 2.064213 -1.272399 1.498226
H -3.255007 2.064319 -0.852666
H 1.981393 -0.369933 -1.838220
H -3.570394 -2.597175 0.996782
H 3.698308 3.029043 1.410633
H -5.670770 -1.369687 0.370226
H 1.736900 2.797401 2.766322
H 0.331028 2.824507 1.658941
H 0.700489 1.349949 2.582794
H 4.273760 0.630490 -2.169898
H 5.131444 2.329125 -0.518709
H 3.907612 -2.392543 0.426286
H 3.052176 -3.937244 0.790178
H -5.762763 2.052708 -1.020471
H -6.706285 0.672187 -0.525102
H 4.650819 -4.239817 -1.152648
H 2.953150 -4.457544 -1.690213
H 3.814405 -2.930585 -2.047704


