%chk=000082015.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082015

0 1
 O  -1.3800000E-02   3.218900      -1.170400    
 O    2.868500      7.3200002E-02 -3.2800000E-02
 O   -2.843600      4.0399998E-02  1.8900000E-02
 O   2.1700000E-02  0.5326000       1.801400    
 N    1.185800       1.681500      0.1580000    
 N   -1.178500       1.670500      0.1763000    
 C    1.153200       2.413200      -1.099300    
 C   -1.172100       2.402400      -1.081300    
 C   1.0500000E-02   1.235100      0.7866000    
 C    2.493300       1.264500      0.6420000    
 C   -2.474400       1.241200      0.6801000    
 C    4.468900      -1.681400     -0.3406000    
 C   -4.455100      -1.701700     -0.3010000    
 C    4.127000     -0.4078000      0.4196000    
 C   -4.120800     -0.4166000      0.4429000    
 C    5.806100      -2.263700      0.1080000    
 C   -5.826000      -2.242200      9.5500000E-02
 C    6.123400      -3.558600     -0.6229000    
 C   -6.174300      -3.501700     -0.6811000    
 H    1.190100       1.702900      -1.933200    
 H    2.019500       3.078900      -1.157900    
 H   -2.045100       3.060100      -1.126700    
 H   -1.215300       1.691600      -1.914500    
 H    2.434100       1.071000       1.718800    
 H    3.221500       2.063100      0.4623000    
 H   -3.213000       2.031400      0.5052000    
 H   -2.400100       1.053900       1.757000    
 H    4.488100      -1.469600      -1.417000    
 H    3.666800      -2.415800     -0.1942000    
 H   -3.678700      -2.451000     -0.1019000    
 H   -4.419300      -1.513500      -1.381500    
 H    4.074700     -0.6149000       1.495000    
 H    4.895600      0.3537000      0.2429000    
 H   -4.873900      0.3500000      0.2261000    
 H   -4.104600     -0.6010000       1.523400    
 H    6.608100      -1.539400     -7.5800002E-02
 H    5.785300      -2.458000       1.186700    
 H   -6.594500      -1.482900     -9.1300003E-02
 H   -5.842700      -2.463400       1.168900    
 H    6.181700      -3.394500      -1.703600    
 H    7.085800      -3.957300     -0.2872000    
 H    5.356400      -4.315700     -0.4309000    
 H   -7.159200      -3.872400     -0.3802000    
 H   -6.200000      -3.304700      -1.757600    
 H   -5.441600      -4.293200     -0.4937000    


%chk=000082015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082015

0 1
O 0.003084 2.692259 -1.479858
O 3.079154 -0.027102 -0.017878
O -3.085346 -0.013867 -0.020688
O -0.002390 0.592029 2.017421
N 1.186231 1.379720 0.152838
N -1.186610 1.384682 0.152146
C 1.181335 1.866667 -1.240919
C -1.179030 1.872079 -1.241472
C -0.001069 1.061413 0.839951
C 2.461933 1.074108 0.751270
C -2.463943 1.084077 0.749700
C 4.953215 -1.538430 -0.334769
C -4.965577 -1.516829 -0.340435
C 4.398969 -0.394794 0.519796
C -4.406422 -0.377490 0.516662
C 6.348927 -2.004918 0.140497
C -6.362548 -1.979556 0.134812
C 6.908769 -3.160355 -0.717104
C -6.927384 -3.130450 -0.725624
H 1.199201 1.015098 -1.953057
H 2.062228 2.507636 -1.404257
H -2.056884 2.517200 -1.404852
H -1.200692 1.020803 -1.953848
H 2.287067 0.776958 1.802037
H 3.134943 1.960916 0.705017
H -3.133171 1.973761 0.703791
H -2.290869 0.785428 1.800342
H 5.006247 -1.204026 -1.389178
H 4.239733 -2.384060 -0.301991
H -4.255132 -2.365124 -0.310503
H -5.018297 -1.179460 -1.393915
H 4.298095 -0.711840 1.582217
H 5.082280 0.485679 0.487902
H -5.086209 0.505782 0.487170
H -4.306339 -0.697481 1.578270
H 7.054546 -1.149334 0.112893
H 6.289501 -2.327303 1.200102
H -7.065072 -1.121328 0.110389
H -6.303281 -2.305246 1.193414
H 7.004887 -2.856673 -1.776494
H 7.906697 -3.478606 -0.363994
H 6.239756 -4.040446 -0.680276
H -7.926110 -3.446134 -0.372471
H -7.023431 -2.823308 -1.784022
H -6.261493 -4.013031 -0.692031


