%chk=000023075.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023075

0 1
 O   0.4134000      0.4028000      0.8005000    
 N   -3.654400      0.2600000      0.5621000    
 C   -3.043700      0.5478000     -0.7448000    
 C   -3.091200     -0.9773000       1.123700    
 C   -1.560700      0.8913000     -0.5062000    
 C   -1.610800     -0.7108000       1.458400    
 C  -0.7907000     -0.1656000      0.2884000    
 C   -3.255200     -0.5879000      -1.763600    
 C   -3.304500      -2.197700      0.2083000    
 C   -2.897500      -1.979400      -1.247000    
 C   -5.113300      0.2687000      0.5322000    
 C   -5.626600       1.647200      0.1237000    
 C    1.481100      0.2697000     -0.1247000    
 C   -7.146900       1.689100      0.1056000    
 C    2.205400      -1.052600      3.8100000E-02
 C    2.406700       1.464600     -2.6500000E-02
 C    2.710700      -1.708800      -1.069700    
 C    2.340800      -1.571500       1.313900    
 C    2.164500       2.572000     -0.8195000    
 C    3.472600       1.421400      0.8544000    
 C    3.373400      -2.924000     -0.8967000    
 C    2.565500      -1.152300      -2.448100    
 C    3.003600      -2.786600       1.486800    
 C    3.016700       3.672700     -0.7290000    
 C    4.324700       2.522100      0.9450000    
 C    3.519800      -3.462800      0.3816000    
 C    4.096600       3.647700      0.1532000    
 H   -3.444800       1.461200      -1.191400    
 H   -3.582000      -1.193900       2.082100    
 H   -1.062600       1.076000      -1.465900    
 H   -1.501200       1.847500      3.3700000E-02
 H   -1.561500      9.3999999E-03   2.287900    
 H   -1.135700      -1.621300       1.845300    
 H  -0.5409000      -1.010800     -0.3576000    
 H   -2.681800     -0.3848000      -2.676300    
 H   -4.308500     -0.5957000      -2.071600    
 H   -4.367400      -2.471000      0.2284000    
 H   -2.767400      -3.066200      0.6084000    
 H   -3.385600      -2.734600      -1.875800    
 H   -1.828000      -2.165900      -1.373400    
 H   -5.525200     -0.4948000     -0.1370000    
 H   -5.496500      4.7600001E-02   1.536500    
 H   -5.252200       2.413100      0.8135000    
 H   -5.313300       1.928700     -0.8847000    
 H    1.054700      0.3079000      -1.133900    
 H   -7.551700      0.9648000     -0.6085000    
 H   -7.557100       1.462600       1.095000    
 H   -7.496200       2.684700     -0.1857000    
 H    1.945800      -1.064000       2.189100    
 H    1.325000       2.603600      -1.507600    
 H    3.684600      0.5852000       1.507500    
 H    3.780800      -3.464700      -1.746900    
 H    1.515800      -1.157400      -2.759400    
 H    2.968800     -0.1369000      -2.510900    
 H    3.118500      -1.751200      -3.180700    
 H    3.117300      -3.206500       2.481900    
 H    2.838500       4.549500      -1.344600    
 H    5.163000       2.505700       1.635400    
 H    4.035400      -4.409100      0.5164000    
 H    4.759200       4.505300      0.2249000    


%chk=000023075-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023075

0 1
O 0.419541 0.482716 0.655185
N -3.710258 0.318420 0.381549
C -3.083733 0.150752 -0.963208
C -3.143869 -0.689919 1.326433
C -1.583165 0.538904 -0.844027
C -1.644882 -0.355547 1.550164
C -0.821307 -0.242135 0.253853
C -3.345398 -1.269366 -1.560690
C -3.429431 -2.150639 0.857739
C -2.963818 -2.426455 -0.597627
C -5.188483 0.429701 0.393980
C -5.690592 1.800609 -0.112324
C 1.537493 0.348251 -0.311142
C -7.228566 1.917080 -0.035279
C 2.183278 -1.039618 -0.245978
C 2.494719 1.503692 -0.005420
C 2.922020 -1.552101 -1.355164
C 2.073844 -1.809753 0.937376
C 2.175695 2.799650 -0.484675
C 3.665175 1.329938 0.771137
C 3.520793 -2.832090 -1.239073
C 3.085182 -0.753503 -2.638684
C 2.676277 -3.082684 1.038627
C 3.007555 3.901985 -0.194451
C 4.500310 2.432204 1.065512
C 3.403221 -3.598400 -0.057398
C 4.175524 3.720537 0.584087
H -3.547213 0.889464 -1.644810
H -3.651262 -0.544136 2.300917
H -1.094156 0.413325 -1.830386
H -1.536215 1.610084 -0.570318
H -1.590182 0.627948 2.052713
H -1.182018 -1.102168 2.223079
H -0.521261 -1.243080 -0.112548
H -2.803737 -1.375892 -2.521209
H -4.425193 -1.345205 -1.802281
H -4.523455 -2.320021 0.925898
H -2.954299 -2.870710 1.552776
H -3.416861 -3.370570 -0.958109
H -1.870919 -2.589624 -0.615782
H -5.701446 -0.376483 -0.189167
H -5.516486 0.306351 1.445517
H -5.210796 2.592103 0.493584
H -5.363776 1.961052 -1.158580
H 1.134278 0.509865 -1.334412
H -7.720796 1.138973 -0.649540
H -7.585065 1.797251 1.005549
H -7.574685 2.901811 -0.398158
H 1.505001 -1.389124 1.773855
H 1.263438 2.942551 -1.077152
H 3.923634 0.332891 1.143064
H 4.088652 -3.230878 -2.088799
H 2.111183 -0.556753 -3.128445
H 3.553679 0.230308 -2.449075
H 3.717502 -1.296217 -3.361733
H 2.581272 -3.663446 1.963029
H 2.748376 4.898130 -0.570797
H 5.403089 2.284902 1.669242
H 3.875809 -4.585284 0.005162
H 4.824582 4.574151 0.810614


