%chk=000029874.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029874

0 1
 O    3.316300     -0.1124000      0.9233000    
 O   -3.633200     -0.5173000      6.4099997E-02
 O   -2.947500       1.589900     -0.5013000    
 O    3.591300     -0.7834000      -1.285800    
 N   -1.435600     -4.8599999E-02  0.2268000    
 N    5.104500      -1.430500      0.3494000    
 C  -0.1990000      0.5968000      0.1983000    
 C   0.9545000     -8.9299999E-02  0.5787000    
 C    2.190700      0.5564000      0.5519000    
 C  -0.1162000       1.928300     -0.2089000    
 C    2.273300       1.888000      0.1445000    
 C    1.119900       2.574000     -0.2358000    
 C   -2.688300      0.4586000     -0.1095000    
 C    3.980200     -0.7843000     -0.1215000    
 C    5.990200      -2.204900     -0.4885000    
 C   -4.982800     -0.1475000     -0.2418000    
 C   -5.887300      -1.275100     -1.4800000E-02
 C   -6.631000      -2.198800      0.1710000    
 H   0.8975000      -1.127400      0.8983000    
 H  -0.9648000       2.523200     -0.5173000    
 H    3.233100       2.397200      0.1218000    
 H    1.185700       3.610900     -0.5526000    
 H   -1.422800      -1.018400      0.5338000    
 H    5.320700      -1.358300       1.338800    
 H    6.993200      -1.778500     -0.4101000    
 H    5.663200      -2.195200      -1.530900    
 H    6.003700      -3.231100     -0.1134000    
 H   -5.276300      0.6951000      0.3948000    
 H   -5.039300      0.1656000      -1.290700    
 H   -7.290700      -3.018400      0.3359000    


%chk=000029874-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029874

0 1
O 3.569883 0.268490 0.030512
O -3.503013 -0.597041 -0.096669
O -3.076639 1.718402 0.047352
O 2.955175 -2.040735 -0.096248
N -1.352024 0.083198 -0.033076
N 5.182964 -1.298147 -0.043174
C -0.160750 0.859630 0.026941
C 1.061422 0.135669 -0.003196
C 2.272934 0.853516 0.052958
C -0.169725 2.274736 0.112125
C 2.292337 2.264530 0.138191
C 1.065543 2.956470 0.166626
C -2.656756 0.536262 -0.019615
C 3.819528 -1.131761 -0.042536
C 5.805044 -2.622768 -0.110462
C -4.956039 -0.257201 -0.092390
C -5.720594 -1.502112 -0.174543
C -6.410627 -2.519965 -0.242583
H 1.075531 -0.954715 -0.067161
H -1.117502 2.814979 0.134523
H 3.252004 2.786476 0.180129
H 1.068407 4.049656 0.232599
H -1.247398 -0.932510 -0.092771
H 5.757051 -0.456143 0.004726
H 6.427742 -2.726911 -1.017953
H 5.001730 -3.375263 -0.145848
H 6.431810 -2.815209 0.779527
H -5.189724 0.300582 0.833398
H -5.170100 0.406252 -0.950737
H -7.005014 -3.413767 -0.302145


