%chk=000038443.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038443

0 1
 O   -4.787600      0.4749000     -0.8174000    
 O   -2.629300      0.8511000       1.157800    
 O    4.696100     -0.1174000     -0.1085000    
 O    3.545200      -1.987800      1.2500000E-02
 N   -2.458100     -0.2596000      0.5594000    
 N    3.607100     -0.7369000     -5.2700002E-02
 C  -1.7200001E-02  7.6800004E-02 -1.3200000E-02
 C   -3.613100      -1.171200      0.4726000    
 C   -1.296300     -0.6123000      4.7899999E-02
 C    1.170500     -0.6546000     -2.4999999E-03
 C   2.1900000E-02   1.469400     -8.4100001E-02
 C    2.397300      6.6999998E-03 -6.2700003E-02
 C   -4.321200     -0.8689000     -0.8311000    
 C    1.248500       2.130600     -0.1443000    
 C    2.436200       1.399300     -0.1337000    
 H   -4.256400     -0.9674000       1.335500    
 H   -3.266900      -2.207500      0.5243000    
 H   -1.295600      -1.628500     -0.3879000    
 H    1.116000      -1.739600      5.4900002E-02
 H  -0.8841000       2.066400     -0.1218000    
 H   -5.187500      -1.525400     -0.9540000    
 H   -3.665600     -0.9995000      -1.698300    
 H    1.278700       3.214600     -0.2059000    
 H    3.372900       1.948700     -0.1835000    
 H   -4.011700       1.050900     -0.7082000    


%chk=000038443-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038443

0 1
O -5.357834 0.400827 -0.513585
O -2.731810 1.062164 0.102481
O 4.884662 -0.097890 -0.090222
O 3.693011 -2.037315 0.044374
N -2.413024 -0.241073 0.164750
N 3.773659 -0.749999 -0.021248
C 0.064546 0.060956 0.060735
C -3.593320 -1.173971 0.262222
C -1.159690 -0.720489 0.141112
C 1.290599 -0.666452 0.056295
C 0.114210 1.490805 -0.011423
C 2.507686 0.030073 -0.017495
C -4.643357 -0.829564 -0.817737
C 1.356478 2.156261 -0.083687
C 2.571198 1.440019 -0.088471
H -4.041597 -1.023857 1.260784
H -3.234578 -2.213620 0.166708
H -1.078623 -1.809563 0.195560
H 1.309396 -1.759668 0.109595
H -0.826455 2.044490 -0.008828
H -5.402742 -1.629932 -0.836001
H -4.150921 -0.788234 -1.813725
H 1.376393 3.249391 -0.137788
H 3.543395 1.935985 -0.145130
H -4.651482 1.083456 -0.324179


