%chk=000113731.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113731

0 1
 O   -3.158400      -3.521400     -0.9442000    
 O   -4.094900      -1.059700      1.5400000E-02
 N   7.2300002E-02  -2.075400      0.1614000    
 N    2.556000     -0.6701000      3.6200002E-02
 C    1.310200      -2.713100      0.6267000    
 C   0.3643000      -1.181100     -0.9654000    
 C    2.326300      -1.666500       1.089900    
 C    1.349800     -8.3800003E-02 -0.5561000    
 C  -0.9106000      -3.086200     -0.2269000    
 C   -2.252600      -2.463200     -0.6186000    
 C    3.739100      7.5800002E-02  8.3099999E-02
 C   -2.872900      -1.616200      0.4905000    
 C    4.997500     -0.5561000      3.4100000E-02
 C    3.707100       1.481100      0.1809000    
 C    6.176700      0.1877000      8.1000000E-02
 C    6.121100       1.578000      0.1779000    
 C    4.886200       2.224700      0.2278000    
 C    7.487200     -0.5266000      2.6200000E-02
 C    7.370000       2.395300      0.2302000    
 C   -4.471800      0.1433000      0.5497000    
 C   -4.640400       1.257200     -0.2668000    
 C   -4.682900      0.2357000       1.922200    
 C   -4.417700       1.170300      -1.740600    
 C   -5.023900       2.475300      0.2943000    
 C   -5.066300       1.453800       2.483200    
 C   -5.236800       2.573700       1.669300    
 C   -2.997100       1.471800      -2.139500    
 C   -2.637400       2.495600      -2.921900    
 H    1.753000      -3.327800     -0.1687000    
 H    1.095500      -3.377900       1.472200    
 H  -0.5292000     -0.6637000      -1.319500    
 H   0.7750000      -1.746200      -1.813100    
 H    3.251100      -2.187100       1.364100    
 H    1.961200      -1.159000       1.992200    
 H   0.8711000      0.5921000      0.1644000    
 H    1.602200      0.4985000      -1.451200    
 H  -0.5436000      -3.711400      -1.052500    
 H   -1.085900      -3.775900      0.6101000    
 H   -2.172200      -1.876900      -1.539000    
 H   -3.102700      -2.244500       1.359000    
 H   -2.185600     -0.8187000      0.7971000    
 H    5.047300      -1.639700     -5.5100001E-02
 H    2.763800       2.018900      0.2350000    
 H    4.825100       3.306900      0.3062000    
 H   -4.010900      -3.114500      -1.175900    
 H    7.356200      -1.612000     -4.4900000E-02
 H    8.071100     -0.3312000      0.9315000    
 H    8.060800     -0.2128000     -0.8520000    
 H    7.969000       2.128700       1.106900    
 H    7.151200       3.466500      0.3022000    
 H    7.965600       2.248300     -0.6766000    
 H   -4.562400     -0.6301000       2.567100    
 H   -4.680500      0.1711000      -2.110300    
 H   -5.113700       1.847200      -2.254300    
 H   -5.159200       3.356400     -0.3275000    
 H   -5.233900       1.530100       3.553500    
 H   -5.535400       3.522100       2.106300    
 H   -2.223100      0.8053000      -1.772400    
 H   -3.369300       3.189700      -3.319700    
 H   -1.594600       2.653200      -3.174900    


%chk=000113731-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113731

0 1
O -2.941549 -2.817860 -1.491147
O -3.718038 -0.323043 -0.361611
N 0.430768 -1.686717 -0.331969
N 3.155672 -0.696383 -0.185966
C 1.434985 -2.338788 0.546468
C 1.112859 -1.126067 -1.525768
C 2.496102 -1.317516 0.985754
C 2.187931 -0.100227 -1.124749
C -0.695327 -2.586540 -0.683194
C -1.971350 -1.807023 -1.047922
C 4.430840 -0.083956 -0.029340
C -2.515760 -1.017258 0.143828
C 5.446079 -0.706212 0.757111
C 4.764829 1.137920 -0.679200
C 6.735815 -0.151827 0.900893
C 7.062775 1.071482 0.236561
C 6.058804 1.685534 -0.545431
C 7.775758 -0.867522 1.746415
C 8.442515 1.693204 0.361457
C -4.480633 0.439924 0.548469
C -5.655157 1.040465 0.009266
C -4.126304 0.611336 1.907356
C -6.015165 0.863678 -1.462382
C -6.454561 1.819182 0.875021
C -4.948488 1.396128 2.748051
C -6.115085 2.002597 2.236512
C -5.167554 1.739432 -2.374620
C -5.661698 2.635513 -3.264214
H 1.943389 -3.191011 0.029079
H 0.921039 -2.734798 1.441759
H 0.370107 -0.624746 -2.172064
H 1.594937 -1.939268 -2.125278
H 3.244760 -1.823966 1.614317
H 2.001094 -0.535881 1.608569
H 1.691810 0.798644 -0.687126
H 2.718926 0.212376 -2.040549
H -0.455277 -3.265137 -1.535510
H -0.922876 -3.231490 0.186488
H -1.770554 -1.091643 -1.874120
H -2.802974 -1.706881 0.963646
H -1.761903 -0.291002 0.501590
H 5.240656 -1.664663 1.246953
H 4.022181 1.680592 -1.270833
H 6.287298 2.629060 -1.056976
H -3.812320 -2.357964 -1.612257
H 7.373607 -1.800165 2.177905
H 8.125441 -0.231063 2.582472
H 8.672525 -1.128582 1.151818
H 8.700316 1.919414 1.414838
H 8.504258 2.636454 -0.208299
H 9.234664 1.019106 -0.019974
H -3.223064 0.148740 2.315044
H -5.858739 -0.196157 -1.747779
H -7.084595 1.095705 -1.616874
H -7.358380 2.290503 0.470704
H -4.671325 1.529560 3.799603
H -6.753939 2.610049 2.886002
H -4.080770 1.607994 -2.275384
H -6.740977 2.793862 -3.385310
H -5.001278 3.238400 -3.897902


