%chk=000059625.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059625

0 1
 O   -2.613900      -1.663800     -2.4100000E-02
 O    2.614600       1.664600      2.1000000E-02
 N   -3.508000       1.686300      9.3099996E-02
 N    3.507300      -1.685900     -9.5200002E-02
 N   -3.891100      0.3357000      0.1496000    
 N    3.891300     -0.3355000     -0.1510000    
 N  -0.3549000      6.1299998E-02 -0.5111000    
 N   0.3551000     -5.9799999E-02  0.5093000    
 C   -2.147600       1.719200     -0.2134000    
 C    2.147100      -1.718200      0.2113000    
 C   -1.618400      0.4884000     -0.2726000    
 C    1.618400     -0.4872000      0.2705000    
 C   -2.744800     -0.4505000     -6.3999998E-03
 C    2.745100      0.4511000      4.1999999E-03
 C   -5.235500     -9.9100001E-02  4.1200001E-02
 C    5.235900      9.8499998E-02 -4.0700000E-02
 C   -4.078600       2.611200       1.067600    
 C    4.077100      -2.610700      -1.070300    
 C   -1.431500       3.016500     -0.3884000    
 C    1.430600      -3.015200      0.3873000    
 C   -5.579600      -1.413400      0.3728000    
 C    5.581200       1.412700     -0.3714000    
 C   -6.228200      0.7827000     -0.3978000    
 C    6.227300     -0.7839000      0.3999000    
 C   -6.902900      -1.841500      0.2665000    
 C    6.904500       1.840100     -0.2625000    
 C   -7.551500      0.3545000     -0.5040000    
 C    7.550600     -0.3563000      0.5088000    
 C   -7.888800     -0.9576000     -0.1718000    
 C    7.889100      0.9558000      0.1775000    
 H   -5.110500       2.379100       1.341500    
 H   -4.066800       3.631100      0.6687000    
 H   -3.492600       2.597200       1.994100    
 H    5.110000      -2.380400      -1.341900    
 H    3.492600      -2.593900      -1.997600    
 H    4.062600      -3.631100     -0.6731000    
 H   -1.419500       3.584000      0.5473000    
 H   -1.922700       3.621800      -1.157100    
 H  -0.3925000       2.866100     -0.6993000    
 H    1.922100      -3.620400       1.156000    
 H    1.417800      -3.583000     -0.5482000    
 H   0.3919000      -2.864500      0.6989000    
 H   -4.847900      -2.123100      0.7450000    
 H    4.850400       2.122800     -0.7445000    
 H   -6.002100       1.800400     -0.7028000    
 H    6.000100      -1.801500      0.7042000    
 H   -7.167300      -2.861300      0.5309000    
 H    7.169700       2.859900     -0.5261000    
 H   -8.318200       1.039800     -0.8534000    
 H    8.316300      -1.042100      0.8596000    
 H   -8.919000      -1.291100     -0.2551000    
 H    8.919400       1.288800      0.2628000    


%chk=000059625-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059625

0 1
O -2.663448 -1.577840 0.339544
O 2.663197 1.577827 -0.339195
N -3.603264 1.857131 0.311829
N 3.602987 -1.857146 -0.311290
N -3.903478 0.466026 0.458033
N 3.903200 -0.466060 -0.457642
N -0.247759 0.608815 -0.039683
N 0.247538 -0.608758 0.040462
C -2.223180 1.979166 0.187058
C 2.222910 -1.979162 -0.186403
C -1.627035 0.709916 0.157150
C 1.626782 -0.709897 -0.156534
C -2.677910 -0.317921 0.331132
C 2.677661 0.317911 -0.330646
C -5.221653 -0.022915 0.207312
C 5.221415 0.022859 -0.207102
C -4.424679 2.825929 1.065664
C 4.424354 -2.826007 -1.065091
C -1.522030 3.301508 0.141221
C 1.521742 -3.301487 -0.140373
C -5.633626 -1.221955 0.842846
C 5.633352 1.221869 -0.842714
C -6.097969 0.649452 -0.685075
C 6.097819 -0.649524 0.685186
C -6.923581 -1.733357 0.588837
C 6.923353 1.733235 -0.588869
C -7.393068 0.137071 -0.911656
C 7.392964 -0.137184 0.911597
C -7.813248 -1.054731 -0.276689
C 7.813105 1.054596 0.276561
H -5.491291 2.665378 0.849300
H -4.145743 3.840086 0.740666
H -4.260384 2.730239 2.156562
H 5.490973 -2.665528 -0.848702
H 4.260093 -2.730317 -2.155995
H 4.145336 -3.840139 -0.740091
H -1.578548 3.837541 1.108144
H -1.940470 3.962456 -0.639855
H -0.459736 3.106793 -0.079528
H 1.940332 -3.962413 0.640641
H 1.578038 -3.837561 -1.107286
H 0.459499 -3.106734 0.080596
H -4.940246 -1.742416 1.507006
H 4.939908 1.742340 -1.506801
H -5.751408 1.540573 -1.219723
H 5.751296 -1.540628 1.219887
H -7.235811 -2.663492 1.076108
H 7.235554 2.663350 -1.076196
H -8.066555 0.660113 -1.599760
H 8.066520 -0.660242 1.599622
H -8.816696 -1.453275 -0.460508
H 8.816589 1.453110 0.460246


