%chk=000158784.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158784

0 1
 O    1.211300     -0.6229000      0.1936000    
 O   0.9010000       2.236300     -2.6200000E-02
 O    6.323400      -2.510400      4.2900000E-02
 N    5.810400     -0.2258000     -0.1652000    
 N   -2.461000     -0.3527000      2.3000000E-02
 C  -3.5999998E-02  2.3000001E-03 -0.1388000    
 C    3.542900     -0.3003000      1.2400000E-02
 C    2.267300      0.2286000      4.1600000E-02
 C  -0.1115000       1.378400      0.5104000    
 C   -1.154100     -0.9046000      0.3539000    
 C    2.124100       1.616500     -7.6399997E-02
 C    4.645500      0.5333000     -0.1606000    
 C    4.006000      -1.718800      0.1283000    
 C    3.246200       2.445400     -0.2631000    
 C    4.531500       1.901700     -0.3053000    
 C    5.527100      -1.585300      2.3000001E-03
 C   -3.528700      -1.218300      0.5050000    
 C   -4.890300     -0.6620000      0.1829000    
 C   -5.514300      0.1844000       1.088700    
 C   -5.502000      -1.003000      -1.015400    
 C   -6.775500      0.7001000      0.7904000    
 C   -6.763200     -0.4872000      -1.313600    
 C   -7.400000      0.3643000     -0.4107000    
 H  -8.2199998E-02  9.0899996E-02  -1.233600    
 H   -1.070700       1.867400      0.3141000    
 H   2.3100000E-02   1.324400       1.598600    
 H   -1.056900      -1.043100       1.438700    
 H   -1.029900      -1.898800     -9.4800003E-02
 H    3.755700      -2.142800       1.104100    
 H    3.624300      -2.332600     -0.6915000    
 H    3.118200       3.520300     -0.3652000    
 H    5.399700       2.536200     -0.4426000    
 H    6.737400      0.1671000     -0.2774000    
 H   -2.535200     -0.2446000     -0.9885000    
 H   -3.438900      -2.221600      6.7500003E-02
 H   -3.449400      -1.352100       1.591800    
 H   -5.036100      0.4539000       2.026200    
 H   -5.014100      -1.663800      -1.726300    
 H   -7.271200       1.363500       1.493000    
 H   -7.249300     -0.7480000      -2.249200    
 H   -8.381800      0.7661000     -0.6432000    


%chk=000158784-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158784

0 1
O 1.242121 -0.626784 0.040776
O 0.886637 2.250519 0.470340
O 6.509205 -2.414213 -0.529115
N 5.921380 -0.141990 -0.200404
N -2.479662 -0.511782 -0.131186
C -0.078189 0.047631 -0.100907
C 3.626775 -0.249232 -0.049267
C 2.333524 0.266727 0.097362
C -0.140283 1.253719 0.842975
C -1.134759 -1.022724 0.202156
C 2.168350 1.672065 0.295234
C 4.742089 0.628396 -0.020810
C 4.112553 -1.664600 -0.263293
C 3.287966 2.526808 0.313069
C 4.599127 2.018284 0.148906
C 5.650167 -1.513012 -0.354065
C -3.599832 -1.342059 0.371428
C -4.954486 -0.716334 0.057639
C -5.150639 0.683378 0.177999
C -6.047160 -1.529940 -0.332104
C -6.415598 1.255335 -0.081731
C -7.316103 -0.960354 -0.586860
C -7.504103 0.435293 -0.462620
H -0.165737 0.403373 -1.149339
H -1.110243 1.764064 0.755331
H 0.026082 0.926028 1.889048
H -1.109282 -1.263505 1.282549
H -0.849600 -1.953902 -0.341839
H 3.854396 -2.350193 0.563939
H 3.727611 -2.128163 -1.189652
H 3.114776 3.596550 0.464585
H 5.460244 2.692834 0.162585
H 6.869625 0.232426 -0.223621
H -2.582741 -0.322189 -1.138268
H -3.579801 -2.386524 -0.024925
H -3.472959 -1.425965 1.470864
H -4.300835 1.310249 0.468807
H -5.905568 -2.613083 -0.437766
H -6.554431 2.338355 0.014136
H -8.152121 -1.602251 -0.886929
H -8.485697 0.879163 -0.663230


