%chk=000016641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016641

0 1
 O    2.485700      -2.261800     -0.4496000    
 O    2.563500       2.346200     -0.3729000    
 O  -6.9100000E-02  8.9999996E-03  0.9455000    
 O    4.919200       1.434600      0.8394000    
 N    2.129800      4.1499998E-02 -0.6153000    
 N    4.012900     -0.6876000      0.3560000    
 N   -1.515500      1.5699999E-02 -0.9055000    
 C   0.8439000      3.9299998E-02  -1.282200    
 C   -2.798700     -6.9999998E-04 -0.3090000    
 C    2.835700      -1.102800     -0.2581000    
 C    2.811500       1.165200     -0.2529000    
 C  -0.2805000      2.0300001E-02 -0.2627000    
 C   -3.406300      -1.216600     -3.2699998E-02
 C   -3.427300       1.199400     -1.1300000E-02
 C    4.082800      0.6732000      0.4019000    
 C    5.021100      -1.591500      0.8709000    
 C   -4.671600      -1.232700      0.5542000    
 C   -4.692400       1.183000      0.5759000    
 C   -2.743400      -2.518500     -0.3477000    
 C   -2.786700       2.517900     -0.3022000    
 C   -5.314600     -3.3100002E-02  0.8585000    
 H   0.7542000      0.9441000      -1.892800    
 H   0.7662000     -0.8507000      -1.915300    
 H   -1.526000      5.4400001E-02  -1.922400    
 H    5.852500      -1.035000       1.310000    
 H    5.378700      -2.220100      5.0299998E-02
 H    4.559800      -2.238100       1.622800    
 H   -5.170600      -2.170900      0.7820000    
 H   -5.207700       2.108100      0.8204000    
 H   -2.473300      -2.566900      -1.408000    
 H   -1.842400      -2.645000      0.2613000    
 H   -3.400800      -3.370700     -0.1438000    
 H   -1.888100       2.648700      0.3096000    
 H   -2.517300       2.590400      -1.361300    
 H   -3.458600       3.354900     -8.3099999E-02
 H   -6.299600     -4.5699999E-02   1.315900    


%chk=000016641-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016641

0 1
O 3.251423 -2.305092 -0.970004
O 1.383372 1.919004 -0.104823
O -0.314030 -1.454424 0.486171
O 4.094143 1.681160 1.379893
N 2.025309 -0.264787 -0.764594
N 4.000378 -0.462505 0.350000
N -1.510082 -0.074942 -0.996611
C 0.831079 -0.638909 -1.520951
C -2.762684 0.015085 -0.285688
C 3.109440 -1.155668 -0.509588
C 2.178790 0.955542 -0.089342
C -0.386455 -0.762496 -0.566817
C -3.515991 -1.156683 0.006425
C -3.219229 1.318285 0.073176
C 3.532707 0.831584 0.659973
C 5.253463 -1.043388 0.846546
C -4.745107 -0.995064 0.694258
C -4.457910 1.431333 0.746212
C -3.047001 -2.535884 -0.407182
C -2.389620 2.550900 -0.244313
C -5.215615 0.282404 1.062716
H 0.661895 0.096058 -2.328514
H 1.029186 -1.627461 -1.971750
H -1.367370 0.605171 -1.748043
H 5.711753 -0.308228 1.526830
H 5.941861 -1.255206 0.011586
H 5.051376 -1.980087 1.391096
H -5.337974 -1.886075 0.930906
H -4.819500 2.424935 1.034870
H -2.657442 -2.538067 -1.442432
H -2.222738 -2.877782 0.245487
H -3.871444 -3.266095 -0.346282
H -1.340643 2.440184 0.087004
H -2.366371 2.769890 -1.332176
H -2.812208 3.440969 0.250364
H -6.169759 0.383839 1.591396


