%chk=000069518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069518

0 1
 O   -3.019000      -2.231700      0.6736000    
 O    3.047500      -2.204000     -0.6822000    
 N   -1.301000      -1.280800     -0.5596000    
 N    1.325900      -1.278300      0.5656000    
 C  -0.4524000      -2.450200     -0.5943000    
 C   0.4916000      -2.455700      0.6010000    
 C   -2.545600      -1.246300      8.0300003E-02
 C    2.551300      -1.253600     -8.3200000E-02
 C   -3.292100     -6.9999998E-04  5.2999998E-03
 C    3.301200      2.6500000E-02 -5.2999998E-03
 C   -4.684500     -1.5900001E-02  8.8500001E-02
 C    4.677100     -6.9999998E-04 -9.8600000E-02
 C   -2.616000       1.209300     -0.1502000    
 C    2.597400       1.201600      0.1580000    
 C   -5.400600       1.179100      1.6300000E-02
 C    5.381200       1.201300     -2.5100000E-02
 C   -3.332000       2.404200     -0.2223000    
 C    3.301400       2.403500      0.2314000    
 C   -4.724400       2.389000     -0.1391000    
 C    4.693200       2.403400      0.1398000    
 H   -1.075300      -3.350500     -0.5854000    
 H   0.1025000      -2.422500      -1.538100    
 H  -6.3299999E-02  -2.436300       1.544800    
 H    1.119400      -3.352400      0.5838000    
 H  -0.9717000     -0.4741000      -1.078700    
 H   0.9996000     -0.4785000       1.096700    
 H   -5.230700     -0.9483000      0.2053000    
 H    5.228000     -0.9282000     -0.2220000    
 H   -1.532300       1.270600     -0.1867000    
 H    1.514200       1.249800      0.1968000    
 H   -6.484700       1.167500      8.0399998E-02
 H    6.465000       1.201300     -9.5600002E-02
 H   -2.805600       3.347400     -0.3359000    
 H    2.765700       3.340800      0.3514000    
 H   -5.281800       3.319600     -0.1938000    
 H    5.241100       3.339500      0.1953000    


%chk=000069518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000069518

0 1
O -2.693289 -2.054220 0.975307
O 2.706612 -2.038932 -0.977193
N -1.303853 -1.356431 -0.743510
N 1.311648 -1.350407 0.741042
C -0.433915 -2.537789 -0.639256
C 0.448312 -2.536393 0.634979
C -2.390943 -1.182516 0.094574
C 2.398513 -1.169753 -0.095951
C -3.203707 0.075300 -0.092182
C 3.203815 0.092467 0.092943
C -4.519457 0.083995 0.437156
C 4.521883 0.108035 -0.430369
C -2.709523 1.239978 -0.737560
C 2.699938 1.255007 0.734694
C -5.337108 1.224960 0.302932
C 5.332439 1.253753 -0.293442
C -3.527088 2.384445 -0.867471
C 3.510380 2.404213 0.867205
C -4.844577 2.378033 -0.353423
C 4.830316 2.404674 0.359417
H -1.059484 -3.449412 -0.610849
H 0.215212 -2.574911 -1.528847
H -0.200547 -2.578656 1.524515
H 1.079002 -3.444426 0.604929
H -1.127004 -0.686186 -1.490919
H 1.131059 -0.682035 1.489248
H -4.871166 -0.815328 0.953282
H 4.881133 -0.789688 -0.944081
H -1.679728 1.282840 -1.113900
H 1.668038 1.292170 1.105826
H -6.354349 1.218290 0.709356
H 6.351599 1.252435 -0.695084
H -3.135336 3.280737 -1.360863
H 3.111239 3.298852 1.357671
H -5.477878 3.266147 -0.456495
H 5.458114 3.296450 0.464516


