%chk=000002604.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002604

0 1
 O   -5.447000     -1.1000000E-03 -0.6210000    
 O   -4.953800      2.3000001E-03   1.596600    
 N    3.358600     -9.9999997E-05 -0.1854000    
 N   -2.613800     -3.4000000E-03  -2.565600    
 C    1.988100      9.9999997E-05  8.7300003E-02
 C    4.012000      -1.252500     -0.5538000    
 C    4.011800       1.252200     -0.5554000    
 C    1.279400      -1.212800      0.2497000    
 C    1.279300       1.213200      0.2484000    
 C    3.483100      -2.399900      0.2954000    
 C    3.482900       2.400300      0.2930000    
 C    1.978800      -2.541300      9.6600004E-02
 C    1.978600       2.541500      9.4200000E-02
 C  -9.9500000E-02  -1.202700      0.5100000    
 C  -9.9500000E-02   1.203400      0.5087000    
 C  -0.7847000      5.0000002E-04  0.6385000    
 C   -2.214200      6.0000003E-04  0.9070000    
 C   -3.180100      3.0000001E-04 -4.0899999E-02
 C   -4.592000      8.9999998E-04  0.4300000    
 C   -2.867900     -1.3000000E-03  -1.433300    
 H    5.094800      -1.169600     -0.4040000    
 H    3.845300      -1.455500      -1.619000    
 H    3.844500       1.454000      -1.620800    
 H    5.094500       1.169500     -0.4059000    
 H    3.701000      -2.205900       1.353900    
 H    3.985000      -3.335700      2.6300000E-02
 H    3.984700       3.335900      2.2900000E-02
 H    3.701000       2.207200       1.351500    
 H    1.589700      -3.261800      0.8255000    
 H    1.769500      -2.930800     -0.9072000    
 H    1.769100       2.930100     -0.9099000    
 H    1.589600       3.262500      0.8227000    
 H  -0.6310000      -2.147400      0.6112000    
 H  -0.6309000       2.148100      0.6088000    
 H   -2.467700      1.5000000E-03   1.964600    
 H   -6.384300     -1.0000000E-03 -0.3315000    


%chk=000002604-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002604

0 1
O -5.684775 0.831385 0.282119
O -4.973200 -1.350539 0.661795
N 3.412102 -0.066725 -0.188385
N -3.071644 2.961427 -0.344500
C 2.024515 -0.153365 -0.095729
C 4.265387 -1.271713 -0.092662
C 4.082049 1.191530 -0.586316
C 1.387494 -1.413200 0.197622
C 1.203103 1.018252 -0.288122
C 3.651430 -2.322432 0.848778
C 3.295749 2.423823 -0.107022
C 2.227795 -2.671684 0.372218
C 1.850419 2.352070 -0.637049
C -0.004390 -1.462249 0.311426
C -0.185521 0.923083 -0.164538
C -0.841036 -0.313269 0.137344
C -2.264435 -0.495496 0.281782
C -3.331915 0.398647 0.185072
C -4.691608 -0.151701 0.400636
C -3.199564 1.794296 -0.103026
H 5.257766 -0.954932 0.279132
H 4.418914 -1.715692 -1.101293
H 4.203186 1.229783 -1.691634
H 5.097064 1.186999 -0.146651
H 3.619136 -1.917888 1.877665
H 4.294247 -3.221323 0.859305
H 3.799842 3.339056 -0.466635
H 3.294755 2.451125 0.998702
H 1.735197 -3.356854 1.085665
H 2.294089 -3.217437 -0.591905
H 1.862053 2.483791 -1.738847
H 1.242686 3.180620 -0.232149
H -0.477880 -2.425502 0.544454
H -0.777597 1.831516 -0.307470
H -2.589281 -1.521523 0.512922
H -6.571233 0.407420 0.436397


