%chk=000107002.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107002

0 1
 O    3.644700       2.300400       1.199800    
 O    2.818000       2.793400     -0.8531000    
 O    3.122800      -2.932400      0.9132000    
 O   -5.427900     -0.4784000     -0.7887000    
 O   -5.011200     -0.8896000       1.327100    
 N   0.6822000       1.134800     -0.5390000    
 N    3.868500      -3.001500      -1.261200    
 N   -4.643200     -0.5063000      0.1902000    
 C    1.669300       1.144100      0.5219000    
 C    2.211000     -0.2714000      0.7691000    
 C    2.864100     -0.9576000     -0.4365000    
 C  -0.6278000      0.7303000     -0.3598000    
 C    2.748400       2.155000      0.1892000    
 C    3.282800      -2.389000     -0.1773000    
 C   -1.544100      0.7447000      -1.430000    
 C   -1.086100      0.2925000      0.8986000    
 C   -2.865900      0.3376000      -1.249000    
 C   -2.407900     -0.1146000       1.079600    
 C   -3.297800     -9.2000000E-02  5.7999999E-03
 H    1.222800       1.538200       1.444000    
 H    2.948200     -0.2344000       1.582200    
 H    1.408000     -0.9203000       1.137200    
 H    2.168800     -0.9725000      -1.283900    
 H    3.752600     -0.3955000     -0.7471000    
 H   0.9805000       1.365700      -1.480600    
 H   -1.224100       1.077000      -2.415200    
 H  -0.4444000      0.2603000       1.773300    
 H   -3.531200      0.3684000      -2.108100    
 H   -2.710300     -0.4416000       2.071300    
 H    4.336300       2.961300      0.9825000    
 H    3.993400      -2.526100      -2.149200    
 H    4.195600      -3.960400      -1.206100    


%chk=000107002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107002

0 1
O 3.681605 2.309861 1.048938
O 2.832628 2.576544 -1.097264
O 2.720628 -3.123904 0.660948
O -5.608226 -0.285389 -0.800868
O -5.168890 -0.900405 1.356272
N 0.622207 1.101511 -0.512946
N 4.233540 -2.954910 -1.087189
N -4.800804 -0.432008 0.204109
C 1.671516 1.092505 0.507095
C 2.294219 -0.317064 0.774529
C 2.935134 -0.945360 -0.476023
C -0.692452 0.707781 -0.309309
C 2.754571 2.066797 0.044001
C 3.278790 -2.425041 -0.234520
C -1.631613 0.846639 -1.382378
C -1.149925 0.173456 0.936931
C -2.969493 0.474850 -1.219032
C -2.492347 -0.195127 1.102573
C -3.399086 -0.045446 0.027609
H 1.277923 1.473810 1.471488
H 3.037843 -0.221372 1.585460
H 1.506365 -0.999077 1.138111
H 2.215275 -0.896940 -1.317929
H 3.840237 -0.390606 -0.791593
H 0.871711 1.560867 -1.394481
H -1.293259 1.254482 -2.342233
H -0.459127 0.042265 1.774156
H -3.694516 0.578278 -2.030566
H -2.855843 -0.602824 2.049682
H 4.382263 2.938290 0.724157
H 4.687783 -2.398314 -1.809174
H 4.467442 -3.944047 -1.000353


