%chk=000089253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089253

0 1
 O  -0.5648000      -3.391700       1.221500    
 O    6.488600       3.373500     -0.2102000    
 O  -0.3759000       1.113200     -0.1497000    
 O   -4.634600       3.016400      0.3541000    
 N    2.475400      -1.668100     -1.0500000E-02
 N    4.726600      0.1455000      2.3600001E-02
 N   -1.838800      -1.475000     -0.5179000    
 N   -4.495400      0.7264000     -3.3700000E-02
 N   -4.040700      -1.656200     -0.4508000    
 N   -2.498100       2.089200      0.1056000    
 C    2.480300     -0.4756000      0.8456000    
 C    3.845300      -2.149500     -0.2257000    
 C    3.356800      0.6265000      0.2409000    
 C    4.721400      -1.047700     -0.8317000    
 C    1.640700      -2.719100      0.5682000    
 C   0.1763000      -2.286600      0.6990000    
 C  -0.4410000      -1.889800     -0.6479000    
 C    5.560000       1.196600     -0.5568000    
 C   -2.295000     -0.2218000     -0.2894000    
 C    5.657500       2.385800      0.3853000    
 C   -3.655900     -0.3575000     -0.2517000    
 C   -2.908100      -2.309300     -0.6094000    
 C   -1.599100       1.011700     -0.1142000    
 C   -3.937000       2.015100      0.1562000    
 C   -5.940800      0.5404000     -3.9999999E-04
 C   -1.903600       3.407600      0.3002000    
 H    2.844300     -0.7223000       1.852600    
 H    1.482100     -5.1700000E-02  0.9616000    
 H    3.835400      -3.000000     -0.9182000    
 H    4.290500      -2.499500      0.7156000    
 H    2.909500      0.9849000     -0.6961000    
 H    3.327000       1.449800      0.9605000    
 H    5.742000      -1.436500     -0.9327000    
 H    4.362700     -0.8045000      -1.841200    
 H    2.018500      -3.035800       1.550100    
 H    1.678100      -3.615800     -6.5300003E-02
 H   5.1600002E-02  -1.479400       1.427500    
 H  -0.4448000      -2.748300      -1.331900    
 H   0.1004000      -1.081400      -1.146400    
 H    5.181700       1.524600      -1.534400    
 H    6.574600      0.8183000     -0.7374000    
 H    6.095900       2.096300       1.346200    
 H    4.696800       2.873900      0.5619000    
 H  -0.1873000      -3.613900       2.089700    
 H   -2.816600      -3.371600     -0.7909000    
 H   -6.465000       1.482200      0.1798000    
 H   -6.189900     -0.1612000      0.8017000    
 H   -6.268400      0.1323000     -0.9615000    
 H    6.548700       4.113700      0.4176000    
 H  -0.8124000       3.392300      0.2528000    
 H   -2.217200       3.791400       1.276300    
 H   -2.289200       4.081600     -0.4714000    


%chk=000089253-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089253

0 1
O -0.663880 -3.365982 1.300964
O 7.093162 3.129464 -0.530983
O -0.502326 1.147792 0.380613
O -4.891216 2.867022 0.436148
N 2.461074 -1.531076 0.166566
N 4.742045 0.247138 -0.142379
N -1.812260 -1.520418 -0.627106
N -4.627911 0.625502 -0.209531
N -4.083827 -1.698831 -0.859512
N -2.719618 1.983474 0.381302
C 2.533940 -0.237476 0.902075
C 3.825683 -2.053723 -0.105735
C 3.379085 0.776434 0.116685
C 4.649656 -1.025882 -0.897003
C 1.614783 -2.538389 0.839476
C 0.105283 -2.196402 0.831465
C -0.391565 -1.911809 -0.591985
C 5.638871 1.237119 -0.785489
C -2.356760 -0.270111 -0.282460
C 6.217778 2.225037 0.236327
C -3.746669 -0.418515 -0.446304
C -2.882753 -2.332910 -0.948759
C -1.743511 0.950491 0.167303
C -4.133655 1.880314 0.211942
C -6.079592 0.434148 -0.397872
C -2.237457 3.308093 0.836501
H 2.985165 -0.384315 1.915829
H 1.518050 0.176291 1.015864
H 3.737234 -2.986846 -0.693620
H 4.368442 -2.289492 0.844236
H 2.849622 1.019136 -0.839113
H 3.452202 1.708497 0.704726
H 5.669934 -1.421706 -1.056062
H 4.173421 -0.880935 -1.900122
H 1.926432 -2.709138 1.905751
H 1.734917 -3.504457 0.311923
H -0.104694 -1.316541 1.471508
H -0.276491 -2.825419 -1.201329
H 0.231405 -1.114393 -1.025512
H 5.131318 1.812409 -1.597107
H 6.486125 0.699677 -1.249390
H 6.784803 1.663000 1.006175
H 5.408053 2.795973 0.738103
H -0.502726 -3.499918 2.268431
H -2.755265 -3.374863 -1.229080
H -6.573487 1.389707 -0.170291
H -6.446608 -0.357104 0.276913
H -6.287073 0.132674 -1.437983
H 7.509867 3.783861 0.083271
H -1.144710 3.241791 0.938729
H -2.703318 3.568478 1.800810
H -2.511882 4.082526 0.101789


