%chk=000069421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069421

0 1
 O   -8.444900       1.396100      9.1000004E-03
 N   -9.608500     -0.5880000      8.2599998E-02
 C    1.749000      0.3979000     -0.1024000    
 C   0.5031000     -0.4903000     -0.1033000    
 C    3.061000     -0.3933000     -6.9799997E-02
 C  -0.8082000      0.3018000     -0.1250000    
 C    4.344900      0.4415000     -4.0800001E-02
 C   -2.092900     -0.5319000     -0.1018000    
 C    5.623400     -0.3997000     -7.0400000E-02
 C   -3.370300      0.3110000     -6.7199998E-02
 C    6.866300      0.4853000      4.7800001E-02
 C   -4.611400     -0.5784000      4.4199999E-02
 C    8.178400     -0.3047000      4.8900001E-02
 C   -5.928200      0.2052000      6.3100003E-02
 C    9.457300      0.5313000      0.1437000    
 C   -7.190600     -0.6548000      9.3599997E-02
 C    10.73100     -0.2978000      9.1700003E-02
 C   -8.459500      0.1685000      5.5900000E-02
 H    1.739100       1.037100     -0.9936000    
 H    1.715100       1.066200      0.7667000    
 H   0.5329000      -1.155900     -0.9746000    
 H   0.5171000      -1.132300      0.7859000    
 H    3.091500      -1.051600     -0.9475000    
 H    3.053100      -1.051400      0.8086000    
 H  -0.8203000      0.9388000      -1.018600    
 H  -0.8179000      0.9808000      0.7373000    
 H    4.344800       1.127000     -0.8972000    
 H    4.337800       1.064500      0.8622000    
 H   -2.110900      -1.185800     -0.9823000    
 H   -2.069100      -1.187300      0.7777000    
 H    5.664700     -0.9760000      -1.002200    
 H    5.607900      -1.119800      0.7564000    
 H   -3.336900      0.9983000      0.7865000    
 H   -3.431100      0.9230000     -0.9749000    
 H    6.881900       1.200700     -0.7837000    
 H    6.808100       1.074800      0.9712000    
 H   -4.628100      -1.278200     -0.8006000    
 H   -4.546200      -1.185000      0.9558000    
 H    8.160900      -1.015500      0.8849000    
 H    8.222400     -0.9075000     -0.8672000    
 H   -5.928400      0.8771000      0.9311000    
 H   -5.961300      0.8532000     -0.8227000    
 H    9.443700       1.106800       1.076800    
 H    9.474800       1.257900     -0.6772000    
 H   -7.198600      -1.333700     -0.7672000    
 H   -7.201800      -1.266300       1.003300    
 H    10.79530     -0.8560000     -0.8477000    
 H    10.76470      -1.013200      0.9194000    
 H    11.61010      0.3502000      0.1644000    
 H   -10.52330     -0.1498000      6.2600002E-02
 H   -9.588100      -1.602000      0.1223000    


%chk=000069421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069421

0 1
O -8.575155 1.433696 -0.008261
N -9.702842 -0.589152 -0.008195
C 1.764862 0.385753 0.004171
C 0.491615 -0.489977 -0.003190
C 3.073940 -0.435539 -0.000557
C -0.817397 0.331380 0.002277
C 4.347305 0.440064 0.006810
C -2.090643 -0.544354 -0.005687
C 5.656274 -0.381428 0.001930
C -3.398887 0.277871 0.000667
C 6.929851 0.494034 0.009520
C -4.672516 -0.597264 -0.008605
C 8.238913 -0.327413 0.004133
C -5.973979 0.233939 -0.001354
C 9.512557 0.548863 0.012356
C -7.235910 -0.649101 -0.011129
C 10.815230 -0.280272 0.006598
C -8.537736 0.168828 -0.008863
H 1.751609 1.058574 -0.878899
H 1.750051 1.045919 0.896737
H 0.506215 -1.149745 -0.896145
H 0.505224 -1.163118 0.879745
H 3.088712 -1.095717 -0.893179
H 3.087156 -1.108341 0.882603
H -0.830820 1.004923 -0.880158
H -0.832193 0.990807 0.895306
H 4.334097 1.113009 -0.876201
H 4.332625 1.100165 0.899453
H -2.075828 -1.203316 -0.899324
H -2.076626 -1.218209 0.876790
H 5.670966 -1.041492 -0.890781
H 5.669402 -1.054477 0.884909
H -3.414028 0.936145 0.894242
H -3.412456 0.952477 -0.880648
H 6.916667 1.167372 -0.873254
H 6.915429 1.153786 0.902485
H -4.655113 -1.254881 -0.903723
H -4.656139 -1.272341 0.873436
H 8.253583 -1.001010 0.886697
H 8.255161 -0.986854 -0.889044
H -5.997790 0.892103 0.887655
H -5.996914 0.909513 -0.877149
H 9.495140 1.207183 0.905029
H 9.496648 1.221719 -0.869425
H -7.230079 -1.307758 -0.904290
H -7.234694 -1.321797 0.871463
H 10.870811 -0.923544 -0.892034
H 10.868259 -0.939849 0.893491
H 11.710462 0.368607 0.013790
H -10.599559 -0.103496 -0.007778
H -9.687660 -1.607484 -0.008618


