%chk=000041581.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041581

0 1
 O  -0.7603000     -0.5093000      9.5700003E-02
 O   0.2596000       1.516400      0.3890000    
 O    6.179200      -1.386700     -0.3314000    
 N   -4.437800     -0.3540000      0.2934000    
 N    1.482200     -0.4443000      1.3500000E-02
 C   -5.472100      -1.398100      0.2907000    
 C   -4.691900      0.6482000     -0.7510000    
 C   -6.861100     -0.7996000      0.5187000    
 C   -6.055300       1.313500     -0.5574000    
 C   -7.175200      0.2801000     -0.5105000    
 C   -3.111700     -0.9469000      0.1217000    
 C   -2.029100      0.1126000      0.2520000    
 C   0.3386000      0.3111000      0.1858000    
 C    2.825800     -5.5999998E-03  3.0300001E-02
 C    3.843200     -0.9266000     -0.1623000    
 C    3.099500       1.336600      0.2407000    
 C    5.169300     -0.4940000     -0.1440000    
 C    4.425400       1.769100      0.2590000    
 C    5.460300      0.8539000      6.6500001E-02
 C    7.511400     -0.8764000     -0.3004000    
 H   -5.462400      -1.955000     -0.6556000    
 H   -5.275900      -2.118000       1.094500    
 H   -3.971400       1.469400     -0.7171000    
 H   -4.637700      0.1981000      -1.750900    
 H   -6.915100     -0.3700000       1.527200    
 H   -7.618000      -1.590400      0.4674000    
 H   -6.241700       2.021800      -1.372700    
 H   -6.053700       1.892400      0.3751000    
 H   -8.126300      0.7664000     -0.2679000    
 H   -7.290700     -0.1796000      -1.499800    
 H   -2.935900      -1.711000      0.8902000    
 H   -3.016900      -1.461900     -0.8437000    
 H   -2.081000      0.5939000       1.236200    
 H   -2.098000      0.8740000     -0.5289000    
 H    1.342900      -1.439300     -0.1451000    
 H    3.621300      -1.978000     -0.3264000    
 H    2.353800       2.102400      0.3968000    
 H    4.652400       2.818700      0.4230000    
 H    6.466600       1.257700      9.2799999E-02
 H    8.185700      -1.722900     -0.4667000    
 H    7.687900     -0.1628000      -1.112400    
 H    7.759400     -0.4583000      0.6811000    


%chk=000041581-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041581

0 1
O -0.722505 -0.386305 -0.004964
O 0.283443 1.633834 0.673593
O 6.149213 -1.416494 -0.542194
N -4.460574 -0.313919 0.045279
N 1.529664 -0.266799 -0.021789
C -5.453845 -1.348279 0.431273
C -4.923888 0.478510 -1.123078
C -6.808957 -0.701954 0.785009
C -6.263651 1.180272 -0.822391
C -7.334072 0.151022 -0.392593
C -3.090380 -0.848923 -0.128723
C -2.056559 0.214937 0.262644
C 0.379142 0.452573 0.259226
C 2.879541 0.163687 0.097684
C 3.884224 -0.766754 -0.257874
C 3.236709 1.463210 0.552815
C 5.247537 -0.408276 -0.161522
C 4.602516 1.794702 0.639568
C 5.623638 0.881148 0.289916
C 7.578232 -1.107498 -0.463166
H -5.609975 -2.093242 -0.394513
H -5.059107 -1.900666 1.304220
H -4.153738 1.230915 -1.373846
H -5.048215 -0.179945 -2.024581
H -6.671822 -0.058582 1.675517
H -7.536079 -1.493785 1.049573
H -6.595295 1.737900 -1.719419
H -6.106328 1.914397 -0.008833
H -8.274030 0.662677 -0.112126
H -7.570355 -0.513253 -1.250101
H -2.959002 -1.725418 0.531622
H -2.891553 -1.193874 -1.172133
H -2.136845 0.474340 1.332071
H -2.157256 1.141551 -0.329903
H 1.368264 -1.221226 -0.350299
H 3.634897 -1.773608 -0.611274
H 2.458803 2.177734 0.825709
H 4.882119 2.794581 0.990179
H 6.673461 1.175484 0.370632
H 8.088525 -2.021644 -0.800588
H 7.846161 -0.263710 -1.128552
H 7.883240 -0.871719 0.575030


