%chk=000057557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057557

0 1
 O    1.074200      0.2022000       1.521300    
 O   -3.366900       2.287900     -3.9799999E-02
 N    4.800300     -3.4600001E-02 -0.4931000    
 N   0.3686000      -1.753500      0.4901000    
 C    5.756700       1.035400     -0.2479000    
 C    4.951000      0.9932000      -1.513500    
 C    3.580300      0.1802000      0.2751000    
 C    2.572000     -0.9279000     -9.8999999E-03
 C    1.276100     -0.7391000      0.7587000    
 C  -0.9376000      -1.795300       1.102800    
 C   -1.965200      -1.067500      0.2854000    
 C   -2.188000      0.2862000      0.5081000    
 C   -2.683200      -1.754800     -0.6861000    
 C   -3.142500      0.9623000     -0.2517000    
 C   -3.637600      -1.078700      -1.445800    
 C   -3.867400      0.2799000      -1.228600    
 C   -2.590900       2.924000      0.9745000    
 H    5.516800       1.789200      0.4908000    
 H    6.799700      0.7532000     -0.3024000    
 H    5.452900      0.6800000      -2.420000    
 H    4.172100       1.730300      -1.656800    
 H    3.826200      0.1493000       1.345700    
 H    3.106200       1.157500      0.1067000    
 H    2.992600      -1.904100      0.2617000    
 H    2.328700     -0.9504000      -1.079600    
 H   0.6139000      -2.485400     -0.1705000    
 H   -1.213100      -2.850400       1.214600    
 H  -0.8839000      -1.376300       2.114800    
 H   -1.601600      0.7665000       1.283300    
 H   -2.511100      -2.812600     -0.8650000    
 H   -4.201700      -1.609800      -2.206900    
 H   -4.612200      0.8013000      -1.823700    
 H   -1.522700       2.911200      0.7321000    
 H   -2.797800       2.501900       1.963800    
 H   -2.898400       3.974400       1.005200    


%chk=000057557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057557

0 1
O 1.114372 0.256359 1.520776
O -3.575937 2.178829 -0.405312
N 4.939086 0.006743 -0.553609
N 0.417830 -1.542955 0.218763
C 6.147284 0.689793 0.036922
C 5.203957 1.459993 -0.875825
C 3.815722 -0.238930 0.393401
C 2.502572 -0.379633 -0.404455
C 1.297130 -0.518827 0.527375
C -0.817101 -1.786619 0.995082
C -2.065011 -1.186628 0.352429
C -2.197118 0.225891 0.296230
C -3.079171 -2.012246 -0.182794
C -3.343031 0.798915 -0.301560
C -4.223755 -1.426348 -0.780364
C -4.361226 -0.028294 -0.844861
C -2.560861 3.077989 0.151770
H 6.127061 0.946482 1.105562
H 7.114687 0.341476 -0.337555
H 5.487666 1.667431 -1.912256
H 4.562994 2.219265 -0.405181
H 4.032980 -1.179832 0.932727
H 3.687794 0.567581 1.152187
H 2.585934 -1.229457 -1.106358
H 2.360735 0.536050 -1.011570
H 0.569388 -2.083206 -0.634803
H -0.940498 -2.877157 1.125645
H -0.640509 -1.333594 1.987033
H -1.403560 0.843616 0.729388
H -2.981761 -3.103328 -0.132182
H -5.011995 -2.064214 -1.195442
H -5.236962 0.444451 -1.299739
H -1.583844 2.943676 -0.351505
H -2.437041 2.919887 1.240443
H -2.941310 4.092542 -0.036960


