%chk=000077748.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077748

0 1
 O   -1.305400      -1.045700      -1.550900    
 O    1.006900      -3.687100     -0.5701000    
 O    1.733600       3.376300     -0.1684000    
 O   0.6597000       1.617300      0.5876000    
 N   -2.118600     -0.4655000      0.5741000    
 N    1.124800      -1.076200     -6.4199999E-02
 N    1.757400     -0.5888000      0.8951000    
 N    1.703300       2.168500      0.1656000    
 C  -9.2900001E-02  -1.756600      0.3844000    
 C   -1.237300      -1.055300     -0.3243000    
 C   -3.291800      0.2681000      0.2745000    
 C   3.2400001E-02  -3.225700      2.3499999E-02
 C    2.914600      5.0799999E-02  0.4198000    
 C    2.894000       1.396800      6.1600000E-02
 C   -4.047300      0.7893000       1.311300    
 C   -3.658300      0.4480000      -1.048600    
 C   -1.107800      -4.119200      0.4436000    
 C    4.091500     -0.6867000      0.3108000    
 C    4.056200       2.008600     -0.4084000    
 C   -5.203400       1.511900       1.016000    
 C   -4.814300       1.170700      -1.343900    
 C    5.253700     -7.5000003E-02 -0.1591000    
 C   -5.586800       1.702700     -0.3114000    
 C    5.235900       1.272600     -0.5188000    
 H  -0.2038000      -1.705400       1.475500    
 H   -1.916400     -0.5576000       1.567000    
 H   -3.757600      0.6467000       2.348600    
 H   -3.116800      6.8000004E-02  -1.901900    
 H   -1.267700      -4.028600       1.520900    
 H   -2.015300      -3.842400     -9.7800002E-02
 H  -0.8630000      -5.159900      0.2133000    
 H    4.115900      -1.737100      0.5889000    
 H    4.084000       3.055700     -0.6987000    
 H   -5.805000       1.926100       1.819800    
 H   -5.114400       1.319700      -2.377100    
 H    6.172400     -0.6478000     -0.2449000    
 H   -6.486900       2.265300     -0.5411000    
 H    6.141200       1.748400     -0.8847000    


%chk=000077748-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077748

0 1
O -2.394398 -2.505195 -0.691375
O 1.308472 -4.045430 -0.300049
O 1.726061 3.312430 1.974533
O 0.304702 1.697994 1.223140
N -1.774089 -0.426221 0.214860
N 0.876104 -1.411517 -0.197732
N 1.391153 -0.597196 0.665202
N 1.489730 2.227812 1.318155
C -0.174516 -2.269520 0.423533
C -1.570545 -1.758212 -0.089425
C -2.928195 0.372185 -0.062400
C 0.158786 -3.751210 0.117186
C 2.478748 0.205215 0.211879
C 2.606465 1.557304 0.640616
C -2.894354 1.723057 0.380080
C -4.072922 -0.125775 -0.740092
C -0.895603 -4.786981 0.428100
C 3.550661 -0.382344 -0.509842
C 3.779897 2.301469 0.389057
C -3.996894 2.567521 0.143765
C -5.167578 0.736767 -0.967059
C 4.713053 0.364556 -0.781508
C -5.141388 2.080812 -0.530908
C 4.835792 1.701618 -0.323453
H -0.168559 -2.150015 1.531648
H -1.000483 0.077064 0.671653
H -2.010048 2.106215 0.901826
H -4.094860 -1.162963 -1.077577
H -1.308348 -4.642405 1.444607
H -1.742443 -4.656208 -0.270368
H -0.464392 -5.795487 0.335612
H 3.446781 -1.424792 -0.828238
H 3.833451 3.335957 0.738582
H -3.960703 3.606729 0.488449
H -6.048453 0.349104 -1.490928
H 5.528557 -0.094072 -1.350172
H -5.997843 2.738992 -0.712100
H 5.744901 2.273645 -0.531659


