%chk=000023048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023048

0 1
 O   0.3322000     -0.3429000      0.9026000    
 N   -3.673700      0.2946000      0.4870000    
 C   -3.384400     -0.9979000       1.126900    
 C   -2.971900      0.3905000     -0.8021000    
 C   -1.893400      -1.007500       1.515900    
 C   -1.459800      0.4517000     -0.5116000    
 C  -0.9410000     -0.6924000      0.3618000    
 C   -3.800400      -2.199100      0.2572000    
 C   -3.364900     -0.7336000      -1.779100    
 C   -3.306700      -2.139600      -1.186400    
 C   -5.100600      0.5844000      0.3903000    
 C   -5.343100       1.942900     -0.2453000    
 C    1.272700     -7.2600000E-02 -0.1251000    
 C    1.717800       1.373500     -5.5599999E-02
 C    2.432700      -1.049000     -9.7499996E-02
 C    2.091200       2.020800      -1.220000    
 C    3.073200      -1.365800      -1.281100    
 C    1.740500       2.014000       1.170500    
 C    2.821300      -1.597700       1.110500    
 C    2.501000       3.352600      -1.156200    
 C    4.140300      -2.263700      -1.255900    
 C    2.150300       3.345900       1.234100    
 C    3.888600      -2.495500       1.135700    
 C    2.530400       4.015000      7.0699997E-02
 C    4.548000      -2.828500     -4.7600001E-02
 H   -3.943300      -1.064300       2.070300    
 H   -3.180700       1.343800      -1.299200    
 H   -1.733300     -0.2692000       2.315000    
 H   -1.619700      -1.971800       1.962500    
 H  -0.9465000      0.5057000      -1.477200    
 H   -1.246800       1.406900     -1.0500000E-02
 H  -0.7988000      -1.597500     -0.2347000    
 H   -4.895900      -2.263900      0.2422000    
 H   -3.456500      -3.133000      0.7184000    
 H   -2.733500     -0.6925000      -2.675000    
 H   -4.389500     -0.5533000      -2.129200    
 H   -2.288300      -2.531600      -1.251400    
 H   -3.907100      -2.819200      -1.803900    
 H   -5.524500      0.6059000       1.401700    
 H   -5.656600     -0.1738000     -0.1714000    
 H   -4.702600       2.717900      0.1896000    
 H   -5.204700       1.929200      -1.330700    
 H   -6.381600       2.245800     -6.9600001E-02
 H   0.8234000     -0.2396000      -1.110600    
 H    2.067100       1.519100      -2.182600    
 H    2.764800     -0.9373000      -2.230000    
 H    1.460000       1.511000       2.090900    
 H    2.328000      -1.345000       2.044200    
 H    2.795700       3.874100      -2.062100    
 H    4.653300      -2.523700      -2.177300    
 H    2.175800       3.861400       2.189800    
 H    4.207800      -2.933700       2.076800    
 H    2.849700       5.051900      0.1205000    
 H    5.379100      -3.527300     -2.7799999E-02


%chk=000023048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023048

0 1
O 0.351595 -0.753953 0.603800
N -3.742517 -0.060713 0.768787
C -3.402677 -1.450998 0.344127
C -3.058932 0.916691 -0.130899
C -1.887289 -1.676771 0.599836
C -1.527856 0.802901 0.104717
C -0.972124 -0.629834 -0.067475
C -3.875396 -1.748919 -1.114034
C -3.505206 0.752801 -1.617987
C -3.373866 -0.702523 -2.146331
C -5.186979 0.176221 1.008746
C -5.447503 1.435647 1.858327
C 1.521515 -0.688235 -0.294073
C 1.729369 0.715386 -0.869307
C 2.730775 -1.207318 0.493536
C 1.571643 0.954958 -2.255070
C 4.029133 -1.101761 -0.067929
C 2.057590 1.799730 -0.016083
C 2.574025 -1.835954 1.751862
C 1.735285 2.256278 -2.786737
C 5.150671 -1.622223 0.613401
C 2.217228 3.098793 -0.540531
C 3.698915 -2.350230 2.437706
C 2.056441 3.332197 -1.929081
C 4.989869 -2.249380 1.871552
H -3.946496 -2.141420 1.019765
H -3.349624 1.933403 0.194977
H -1.719314 -1.602348 1.690579
H -1.588972 -2.694343 0.283240
H -0.987156 1.506166 -0.554743
H -1.326876 1.100356 1.150612
H -0.825682 -0.866862 -1.140115
H -4.984368 -1.753689 -1.116815
H -3.556407 -2.766544 -1.414794
H -2.925012 1.445422 -2.258842
H -4.565430 1.068893 -1.696521
H -2.320992 -0.911439 -2.411242
H -3.949042 -0.807114 -3.087030
H -5.566548 -0.706926 1.559509
H -5.790683 0.241735 0.068987
H -4.871103 1.384930 2.798650
H -5.158596 2.361176 1.328007
H -6.522811 1.517050 2.103894
H 1.341939 -1.381230 -1.149850
H 1.323176 0.120227 -2.923736
H 4.162903 -0.602652 -1.035329
H 2.179074 1.614394 1.057166
H 1.570469 -1.909925 2.178314
H 1.613074 2.428445 -3.862188
H 6.147798 -1.534996 0.166757
H 2.468901 3.930594 0.127279
H 3.565539 -2.831168 3.413737
H 2.183351 4.341928 -2.335806
H 5.860280 -2.650750 2.403076


