%chk=000053486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053486

0 1
 O   -1.772200      -2.033100       1.188600    
 O   -5.133400      -3.200600      0.5321000    
 O    1.918100       1.531300       1.634600    
 O    3.375700       2.177500     -1.2800000E-02
 N    3.331000      -2.005500     -0.8151000    
 N   -3.352400     -3.3700000E-02 -0.1819000    
 C    1.607800      -1.013700      0.1968000    
 C    2.042900      -2.211100     -0.3751000    
 C    3.724400     -0.7230000     -0.5413000    
 C    2.679300     -8.3999999E-02  8.5000001E-02
 C   0.3056000     -0.9513000      0.7315000    
 C    1.237600      -3.353800     -0.4393000    
 C  -0.5110000      -2.086400      0.6743000    
 C   -4.123400      -2.206400      0.7266000    
 C    4.150100      -3.003300      -1.472300    
 C  -5.0200000E-02  -3.268200      9.7599998E-02
 C    5.068700     -0.2242000     -0.9048000    
 C   -2.755000      -2.868600      0.5810000    
 C   -4.361700      -1.079400     -0.2810000    
 C    2.707600       1.281400      0.5303000    
 C   -3.569600      0.9971000      -1.187800    
 C   -2.530300       2.083700      -1.110800    
 C    1.900200       2.874200       2.132000    
 C   -2.744600       3.197500     -0.2987000    
 C   -1.352800       1.976600      -1.851000    
 C   -1.781800       4.204200     -0.2271000    
 C  -0.3900000       2.983400      -1.779200    
 C   0.9839000       2.942100       3.335100    
 C  -0.6046000       4.097200     -0.9673000    
 H  -7.6300003E-02 -3.7500001E-02   1.177800    
 H    1.586900      -4.283600     -0.8744000    
 H   -4.242400      -1.815700       1.744200    
 H    4.725500      -2.528900      -2.271400    
 H    4.815200      -3.441900     -0.7244000    
 H    3.520700      -3.775100      -1.918900    
 H  -0.6551000      -4.170700      7.1099997E-02
 H   -2.563300      -3.046100     -0.4859000    
 H   -2.757000      -3.838400       1.093700    
 H    5.837600     -0.9932000     -0.7774000    
 H    5.082700      0.1096000      -1.947300    
 H    5.373000      0.6171000     -0.2749000    
 H   -4.370100      -1.503900      -1.293700    
 H   -5.364800     -0.6649000     -0.1166000    
 H   -3.384000      0.3783000      0.7505000    
 H   -4.565100       1.445600      -1.071700    
 H   -3.546600      0.5590000      -2.194200    
 H   -5.019600      -3.570200     -0.3603000    
 H    1.536900       3.547900       1.349000    
 H    2.915200       3.167300       2.421700    
 H   -3.656700       3.291500      0.2846000    
 H   -1.171800       1.112000      -2.484300    
 H   -1.947900       5.070600      0.4064000    
 H   0.5284000       2.898500      -2.352800    
 H   0.9473000       3.956300       3.742300    
 H    1.325200       2.257600       4.118800    
 H  -3.0900000E-02   2.633200       3.063000    
 H   0.1463000       4.879700     -0.9097000    


%chk=000053486-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053486

0 1
O -1.629587 -1.924520 0.813460
O -5.011976 -3.374081 0.824870
O 1.966548 1.453806 1.484673
O 4.237056 1.753844 1.044550
N 3.699259 -2.155423 -0.839088
N -3.589956 -0.012754 -0.151587
C 1.916700 -1.135269 0.200917
C 2.329812 -2.299526 -0.531527
C 4.164499 -0.940287 -0.330985
C 3.092287 -0.278794 0.316736
C 0.574970 -1.034597 0.632285
C 1.443474 -3.345672 -0.845798
C -0.313795 -2.086265 0.323039
C -4.023265 -2.280026 0.814487
C 4.474977 -3.153463 -1.576950
C 0.104926 -3.233233 -0.412609
C 5.588738 -0.499552 -0.501725
C -2.680050 -2.797072 0.263241
C -4.598373 -1.057192 0.064270
C 3.200447 1.033342 0.954013
C -4.108866 1.307348 -0.529238
C -2.996478 2.320755 -0.784869
C 1.968164 2.792498 2.142478
C -3.257694 3.707467 -0.639199
C -1.698676 1.908268 -1.179505
C -2.250917 4.664131 -0.898474
C -0.686456 2.863336 -1.428517
C 0.530369 3.076749 2.568119
C -0.958473 4.244444 -1.293876
H 0.228981 -0.162411 1.189114
H 1.766821 -4.228228 -1.407474
H -3.875139 -2.039788 1.881909
H 5.510132 -2.804418 -1.703852
H 4.494014 -4.115178 -1.031612
H 4.037960 -3.324446 -2.578026
H -0.599492 -4.038122 -0.640008
H -2.655021 -2.765243 -0.846088
H -2.538052 -3.838469 0.615273
H 6.296101 -1.204938 -0.024280
H 5.867232 -0.416045 -1.570072
H 5.709598 0.487349 -0.030325
H -4.988547 -1.397837 -0.924766
H -5.484922 -0.700644 0.644903
H -2.852352 0.004191 0.561692
H -4.813950 1.732870 0.231017
H -4.710423 1.182654 -1.456291
H -5.333703 -3.520178 -0.102041
H 2.349365 3.538147 1.421238
H 2.665985 2.759162 2.999411
H -4.254079 4.039608 -0.319784
H -1.493197 0.838160 -1.287699
H -2.470598 5.732059 -0.784977
H 0.314066 2.526345 -1.722841
H 0.478439 4.058784 3.073661
H 0.167646 2.306633 3.271094
H -0.141337 3.101445 1.692889
H -0.173995 4.984275 -1.490055


