%chk=000023071.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023071

0 1
 O  -3.7400000E-02  0.3124000     -0.8544000    
 N    3.950500       1.154700     -0.7403000    
 C    3.692900     -0.2456000      -1.109900    
 C    3.291800       1.471700      0.5360000    
 C    2.190700     -0.3805000      -1.425500    
 C    1.769000       1.424100      0.3045000    
 C    1.267700      0.1169000     -0.3124000    
 C    4.189600      -1.243000     -4.6500001E-02
 C    3.766100      0.5695000       1.691000    
 C    3.745600     -0.9250000       1.379400    
 C    5.366600       1.506300     -0.7619000    
 C   -1.042000      6.4499997E-02  0.1168000    
 C   -2.248400      0.9582000     -9.7099997E-02
 C   -1.394800      -1.408300      0.1425000    
 C   -2.582600       1.911000      0.8481000    
 C   -2.990600      0.7902000      -1.252900    
 C   -1.824400      -1.978200       1.327500    
 C   -1.278900      -2.149600      -1.019700    
 C   -3.695800       2.722900      0.6312000    
 C   -1.783900       2.096000       2.096400    
 C   -4.103900       1.602200      -1.469800    
 C   -2.149100      -3.334500       1.351200    
 C   -1.603500      -3.505900     -0.9961000    
 C   -4.456500       2.568500     -0.5277000    
 C   -2.038800      -4.098400      0.1893000    
 H    4.220100     -0.4720000      -2.046500    
 H    3.523700       2.509500      0.8113000    
 H    1.971400      0.1850000      -2.342700    
 H    1.943300      -1.421500      -1.669100    
 H    1.253500       1.612700       1.252000    
 H    1.482000       2.257800     -0.3521000    
 H    1.229500     -0.6650000      0.4498000    
 H    5.286900      -1.261700     -6.6399999E-02
 H    3.871200      -2.259800     -0.3069000    
 H    3.165800      0.7608000       2.588800    
 H    4.793800      0.8489000       1.956700    
 H    2.750900      -1.336600       1.567400    
 H    4.399600      -1.450300       2.086800    
 H    5.787200       1.326700      -1.757600    
 H    5.495400       2.575700     -0.5605000    
 H    5.968500      0.9514000     -3.6200002E-02
 H  -0.6114000      0.2734000       1.100000    
 H   -2.727600      5.8800001E-02  -2.009700    
 H   -1.915100      -1.393200       2.237900    
 H  -0.9477000      -1.712400      -1.956800    
 H   -3.984700       3.481300       1.354000    
 H  -0.7670000       2.421800       1.863600    
 H   -1.766600       1.181500       2.697500    
 H   -2.220200       2.873800       2.734200    
 H   -4.693900       1.485000      -2.374100    
 H   -2.488200      -3.795800       2.274200    
 H   -1.518800      -4.100600      -1.900900    
 H   -5.322700       3.201300     -0.6973000    
 H   -2.292000      -5.154300      0.2076000    


%chk=000023071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023071

0 1
O -0.135281 0.585040 -0.574787
N 3.900250 1.348261 0.026789
C 3.627650 0.473645 -1.151543
C 3.292016 0.754990 1.251168
C 2.100075 0.500933 -1.425176
C 1.746380 0.808895 1.091719
C 1.237382 0.132527 -0.203724
C 4.236814 -0.951705 -0.970739
C 3.870050 -0.662856 1.566402
C 3.810808 -1.636679 0.357133
C 5.301215 1.781001 0.173969
C -1.205692 0.195714 0.382755
C -2.468440 0.934966 -0.076378
C -1.354124 -1.321911 0.484644
C -2.560002 2.351368 0.105711
C -3.544931 0.243112 -0.681182
C -1.686719 -1.922600 1.723150
C -1.179266 -2.150081 -0.653273
C -3.729872 3.018755 -0.333657
C -1.438343 3.151782 0.743871
C -4.704641 0.923388 -1.114009
C -1.853143 -3.322733 1.825505
C -1.337805 -3.549821 -0.553974
C -4.798055 2.320466 -0.940484
C -1.678709 -4.141469 0.685703
H 4.119935 0.942180 -2.027236
H 3.551341 1.418836 2.100574
H 1.828132 1.531923 -1.718300
H 1.849679 -0.164238 -2.272927
H 1.274591 0.354831 1.984972
H 1.458950 1.876499 1.051831
H 1.197707 -0.964598 -0.067471
H 5.341576 -0.857310 -0.989767
H 3.962050 -1.589323 -1.833730
H 3.339594 -1.100328 2.434982
H 4.927585 -0.537810 1.876103
H 2.791186 -2.050783 0.256310
H 4.471782 -2.503692 0.551793
H 5.621082 2.292117 -0.752875
H 5.370387 2.510257 1.002391
H 6.037341 0.966155 0.380603
H -0.934299 0.580935 1.390487
H -3.480805 -0.841938 -0.808226
H -1.821864 -1.291474 2.610920
H -0.909604 -1.681520 -1.606915
H -3.801281 4.104847 -0.197588
H -0.500032 3.023779 0.176349
H -1.235862 2.823189 1.782522
H -1.689261 4.225551 0.777120
H -5.524917 0.365924 -1.579810
H -2.113102 -3.773274 2.790139
H -1.197944 -4.178562 -1.440799
H -5.691893 2.862681 -1.269695
H -1.802869 -5.227543 0.763351


