%chk=000056702.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056702

0 1
 O    1.057300       2.115200       1.099200    
 O   -1.057700       2.114800      -1.099200    
 N    2.834000      0.3748000     -0.2549000    
 N   -2.833700      0.3747000      0.2552000    
 N    1.478600      0.4672000     -0.5197000    
 N   -1.478400      0.4670000      0.5198000    
 C    3.179900     -0.9872000      0.1285000    
 C   -3.179900     -0.9873000     -0.1285000    
 C    4.697100      -1.147900      0.3143000    
 C   -4.697100      -1.147800     -0.3143000    
 C    2.443900      -1.336700       1.421200    
 C   -2.444000      -1.336500      -1.421300    
 C    5.502300     -0.8374000     -0.9412000    
 C   -5.502200     -0.8375000      0.9413000    
 C   0.7195000       1.352500      0.2076000    
 C  -0.7195000       1.352200     -0.2078000    
 H    2.861900      -1.687900     -0.6557000    
 H   -2.861800      -1.688100      0.6554000    
 H    5.050300     -0.5044000       1.130200    
 H    4.912300      -2.181000      0.6150000    
 H   -4.912400      -2.180700     -0.6152000    
 H   -5.050300     -0.5041000      -1.130000    
 H    1.357800      -1.376000       1.285200    
 H    2.664300     -0.6179000       2.219000    
 H    2.750700      -2.326500       1.778300    
 H   -2.750900      -2.326300      -1.778700    
 H   -2.664400     -0.6175000      -2.218900    
 H   -1.357900      -1.375900      -1.285500    
 H    3.311000      0.6279000      -1.118600    
 H   -3.310700      0.6275000       1.119100    
 H    5.140800      -1.419600      -1.794700    
 H    5.458900      0.2248000      -1.199200    
 H    6.555200      -1.091700     -0.7809000    
 H   -5.140800      -1.419900       1.794600    
 H   -5.458700      0.2246000       1.199600    
 H   -6.555200      -1.091600      0.7810000    
 H    1.088200     -0.1080000      -1.260000    
 H   -1.087700     -0.1081000       1.260100    


%chk=000056702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056702

0 1
O 0.544006 0.197141 1.721526
O -0.543964 0.197201 -1.721470
N 3.068417 0.127333 0.238638
N -3.068378 0.127376 -0.238585
N 1.768739 0.208621 -0.310945
N -1.768699 0.208627 0.311001
C 3.908831 -0.956578 -0.346024
C -3.908793 -0.956572 0.346008
C 5.358202 -0.780046 0.167412
C -5.358166 -0.780000 -0.167408
C 3.330721 -2.329820 0.043980
C -3.330689 -2.329789 -0.044092
C 6.072310 0.498781 -0.328273
C -6.072273 0.498789 0.328380
C 0.630382 0.201514 0.456996
C -0.630341 0.201529 -0.456940
H 3.927350 -0.881348 -1.464841
H -3.927305 -0.881418 1.464831
H 5.338655 -0.802490 1.274316
H 5.934574 -1.665692 -0.161713
H -5.934537 -1.665671 0.161652
H -5.338624 -0.802359 -1.274314
H 2.285008 -2.435439 -0.294870
H 3.347104 -2.447874 1.141700
H 3.922969 -3.141823 -0.415895
H -3.922936 -3.141821 0.415733
H -3.347084 -2.447769 -1.141821
H -2.284974 -2.435434 0.294742
H 3.524451 1.050233 0.229971
H -3.524412 1.050275 -0.229854
H 6.043967 0.569385 -1.432208
H 5.624534 1.423215 0.083538
H 7.133027 0.496433 -0.018996
H -6.043928 0.569304 1.432321
H -5.624496 1.423255 -0.083357
H -7.132990 0.496466 0.019104
H 1.612857 0.208098 -1.333938
H -1.612815 0.208067 1.333994


