%chk=000049635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049635

0 1
 O   0.9317000      0.3534000      0.7200000    
 O  -0.6580000     -0.6560000       2.058300    
 N    5.047600      0.8172000     -0.3045000    
 C    3.777900      0.2167000      0.1658000    
 C    4.006700      -1.243600      0.6056000    
 C    4.634900      -2.079500     -0.5018000    
 C    5.624300      3.9999999E-02  -1.415800    
 C    5.899100      -1.407100      -1.013600    
 C    3.163600      0.9808000       1.347400    
 C    1.858300      0.3524000       1.810700    
 C    4.887200       2.211900     -0.7259000    
 C   -1.149000     -0.1152000     -0.2319000    
 C   -2.000500       1.141900     -0.2711000    
 C   -2.206100      -1.205100     -0.2592000    
 C   -3.372900      0.8058000     -0.3104000    
 C   -3.499200     -0.6360000     -0.3033000    
 C  -0.2918000     -0.1841000      0.9904000    
 C   -1.582400       2.462500     -0.2576000    
 C   -2.023900      -2.578000     -0.2321000    
 C   -4.340200       1.796700     -0.3451000    
 C   -4.623900      -1.444100     -0.3297000    
 C   -2.557800       3.460700     -0.2925000    
 C   -3.157800      -3.391600     -0.2589000    
 C   -3.923000       3.131000     -0.3366000    
 C   -4.444900      -2.830400     -0.3082000    
 H    3.063200      0.2172000     -0.6693000    
 H    3.066500      -1.739200      0.8639000    
 H    4.648900      -1.276000       1.495500    
 H    3.920200      -2.197000      -1.325700    
 H    4.867100      -3.083800     -0.1306000    
 H    6.577500      0.4865000      -1.725200    
 H    4.958500      5.9799999E-02  -2.289000    
 H    6.671600      -1.433400     -0.2345000    
 H    6.292200      -1.962500      -1.872600    
 H    2.935300       2.009800       1.047600    
 H    3.866800       1.029900       2.187400    
 H    1.984200     -0.6545000       2.218900    
 H    1.443400      0.9764000       2.612400    
 H    5.821700       2.598300      -1.150000    
 H    4.665800       2.863600      0.1246000    
 H    4.099300       2.327700      -1.478700    
 H  -0.5469000     -0.1963000      -1.144500    
 H  -0.5300000       2.721900     -0.2246000    
 H   -1.031800      -3.014300     -0.1942000    
 H   -5.398100       1.558200     -0.3765000    
 H   -5.624400      -1.025700     -0.3648000    
 H   -2.259500       4.505600     -0.2854000    
 H   -3.045600      -4.472500     -0.2411000    
 H   -4.664100       3.925700     -0.3629000    
 H   -5.312800      -3.484500     -0.3281000    


%chk=000049635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049635

0 1
O 0.868837 0.256439 0.734679
O -0.541043 -0.959995 2.139016
N 5.101556 0.902149 -0.261663
C 3.802333 0.244580 0.098564
C 4.055066 -1.240899 0.458673
C 4.786871 -2.001690 -0.666837
C 5.785786 0.198742 -1.381857
C 6.091704 -1.268544 -1.035707
C 3.128127 1.004832 1.271151
C 1.874888 0.343343 1.842563
C 4.969698 2.343274 -0.577722
C -1.258344 -0.350150 -0.173951
C -1.993962 0.998788 -0.264128
C -2.405969 -1.354982 -0.152697
C -3.401781 0.775152 -0.327811
C -3.655499 -0.677085 -0.265113
C -0.322133 -0.416771 1.037013
C -1.462470 2.297703 -0.301568
C -2.353113 -2.754526 -0.058245
C -4.288537 1.868694 -0.435343
C -4.863997 -1.406615 -0.295352
C -2.356369 3.393694 -0.407362
C -3.566307 -3.486877 -0.086795
C -3.755482 3.178688 -0.474012
C -4.809653 -2.817143 -0.206854
H 3.104714 0.273967 -0.781012
H 3.088786 -1.736558 0.667060
H 4.661457 -1.278088 1.386285
H 4.131757 -2.056578 -1.561194
H 4.993325 -3.042892 -0.354072
H 6.726410 0.740502 -1.595929
H 5.165287 0.231155 -2.318209
H 6.792479 -1.297150 -0.179092
H 6.589940 -1.754865 -1.896501
H 2.854528 2.027229 0.953579
H 3.866826 1.102114 2.092538
H 2.051876 -0.673389 2.232259
H 1.434460 0.948583 2.655736
H 5.953993 2.729381 -0.897305
H 4.664378 2.919601 0.310849
H 4.236557 2.550126 -1.399227
H -0.624755 -0.483764 -1.073312
H -0.380563 2.457722 -0.247737
H -1.396231 -3.276852 0.049282
H -5.371660 1.711143 -0.486541
H -5.829061 -0.895037 -0.382720
H -1.962897 4.415841 -0.437997
H -3.544493 -4.579626 -0.010846
H -4.430973 4.037774 -0.555043
H -5.737450 -3.399937 -0.226891


