%chk=000127396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127396

0 1
 O   -3.618500      -1.768200      0.6428000    
 O   -1.994800       2.684800       1.359800    
 O   -1.084800      -3.345000      -1.094400    
 O   -3.267100       4.551300     -6.0600001E-02
 O    4.520200      -1.078700       1.255700    
 N    3.482900     -0.2136000     -0.6525000    
 N    6.641900      0.7321000      0.9707000    
 N    5.665300       1.558700     -0.8975000    
 N    7.335700       1.716100      0.3814000    
 N    6.794600       2.235600     -0.7293000    
 C   -2.023700     -1.0700000E-02   2.212900    
 C   -2.794200      0.4593000       1.020800    
 C   -3.560400     -0.4460000      0.2864000    
 C   -2.746400       1.800800      0.6418000    
 C   -2.492400      0.6627000       3.515000    
 C  -0.5061000      0.1778000       2.040300    
 C   -3.464900       2.237000     -0.4714000    
 C   -4.278800     -9.7000003E-03 -0.8268000    
 C   -3.819600      -2.706500     -0.4056000    
 C   -4.231100       1.331800      -1.205700    
 C   -3.134800      -4.019800     -6.1099999E-02
 C   -1.634600      -3.850800      0.1143000    
 C   -3.429400       3.632500     -0.8867000    
 C   -3.592400       3.999300      -2.356700    
 C   4.2100001E-02  -2.572000     -0.9856000    
 C   0.9402000      -2.792300      5.8699999E-02
 C   0.2910000      -1.566000      -1.919100    
 C    2.336100      -1.000300     -0.7639000    
 C    2.087300      -2.006500      0.1696000    
 C    1.438000     -0.7801000      -1.808300    
 C    4.495500     -0.2827000      0.3214000    
 C    5.603400      0.6691000      0.1336000    
 H   -2.178400      -1.086700       2.357200    
 H   -2.248900       1.727400       3.565200    
 H   -2.013400      0.1845000       4.377000    
 H   -3.576300      0.5590000       3.638600    
 H  -0.1927000       1.222200       2.128100    
 H   3.3399999E-02 -0.3837000       2.811200    
 H  -0.1779000     -0.1868000       1.064200    
 H   -4.916800     -0.6708000      -1.405600    
 H   -4.896000      -2.882400     -0.5172000    
 H   -3.421700      -2.354100      -1.365800    
 H   -3.334100      -4.739200     -0.8638000    
 H   -3.553300      -4.423500      0.8679000    
 H   -4.818000       1.645900      -2.064400    
 H   -1.183000      -4.825800      0.3310000    
 H   -1.455900      -3.181100      0.9650000    
 H   -1.967800       3.550900      0.9243000    
 H   -3.053900       4.931300      -2.553000    
 H   -3.158900       3.229000      -3.000300    
 H   -4.652200       4.135800      -2.585300    
 H   0.7969000      -3.583100      0.7892000    
 H  -0.4065000      -1.389300      -2.733300    
 H    2.732900      -2.245200       1.002200    
 H    1.618600      1.1000000E-03  -2.542200    
 H    3.595500      0.4948000      -1.375100    
 H    8.219000       2.048000      0.7539000    


%chk=000127396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127396

0 1
O -3.194139 -1.204276 0.329814
O -4.507349 3.022307 2.178230
O -0.176749 -2.733486 -1.113908
O -5.643417 4.716313 0.724917
O 5.999422 -1.432372 1.169610
N 5.298770 -1.323714 -1.091477
N 8.677233 -0.609678 0.186909
N 7.803498 -0.570059 -1.940881
N 9.588639 -0.253017 -0.767412
N 9.100897 -0.216878 -2.071437
C -3.263820 0.442014 2.613410
C -3.840500 0.894376 1.269981
C -3.790162 0.046582 0.129857
C -4.442346 2.172316 1.097013
C -4.356472 0.364784 3.715048
C -2.074933 1.337363 3.059161
C -4.981901 2.597586 -0.180249
C -4.314752 0.438173 -1.140490
C -3.078449 -2.139039 -0.810741
C -4.899431 1.698273 -1.279892
C -2.345535 -3.373476 -0.280707
C -0.900103 -3.079261 0.126260
C -5.586751 3.924978 -0.302157
C -6.158766 4.415361 -1.620211
C 1.180992 -2.393960 -1.006261
C 1.908850 -2.352186 0.207823
C 1.830851 -2.080506 -2.226761
C 3.927698 -1.686626 -1.011494
C 3.275367 -2.000679 0.208554
C 3.189115 -1.730850 -2.227630
C 6.219586 -1.217806 -0.058360
C 7.561342 -0.803915 -0.580582
H -2.873189 -0.579785 2.462130
H -4.783307 1.361563 3.913086
H -3.915625 -0.020996 4.653515
H -5.175501 -0.315342 3.416456
H -2.410389 2.372191 3.237035
H -1.639635 0.944042 3.997152
H -1.278168 1.353804 2.292686
H -4.261594 -0.233592 -2.000068
H -4.090494 -2.405294 -1.174155
H -2.501415 -1.664622 -1.627284
H -2.350298 -4.153503 -1.064905
H -2.890461 -3.771705 0.595422
H -5.300059 1.997799 -2.253607
H -0.431818 -3.969409 0.591899
H -0.860156 -2.229048 0.834732
H -4.975930 3.895362 1.845662
H -6.557717 5.430458 -1.475383
H -5.383294 4.441597 -2.407425
H -6.971669 3.755399 -1.974519
H 1.428886 -2.587317 1.161909
H 1.256274 -2.117912 -3.156877
H 3.839629 -1.966555 1.142404
H 3.682823 -1.490004 -3.177395
H 5.669039 -1.109169 -2.026609
H 10.558185 -0.028405 -0.542798


