%chk=000050719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050719

0 1
 O    1.757800     -0.9062000      9.5399998E-02
 O    3.503900      -2.387400      0.3337000    
 N   -1.581800      -2.464500      0.1382000    
 N    6.406900       3.329400     -0.2286000    
 C   -2.819000      -2.049000     -0.5235000    
 C   -3.202900     -0.6155000     -0.1198000    
 C   -4.696900     -0.3193000     -0.3031000    
 C   -5.034100       1.108700      0.1343000    
 C   -2.649300      -2.153300      -2.038900    
 C   -6.520100       1.452400     -2.7999999E-03
 C  -0.5826000      -1.399500      6.7400001E-02
 C   -1.844800      -2.827900       1.529800    
 C   -6.861600       2.870200      0.4570000    
 C   0.8210000      -1.971600      0.1863000    
 C   -8.332800       3.185700      0.2329000    
 C    3.071000      -1.255200      0.1847000    
 C    3.942400     -5.7799999E-02  7.7399999E-02
 C    5.328700     -0.1955000      0.1460000    
 C    3.374500       1.204900     -9.2500001E-02
 C    6.147300      0.9294000      4.4799998E-02
 C    4.193000       2.329800     -0.1936000    
 C    5.579300       2.192000     -0.1250000    
 H   -3.624900      -2.742900     -0.2503000    
 H   -2.630100      0.1261000     -0.6916000    
 H   -2.990800     -0.4276000      0.9388000    
 H   -4.980300     -0.4524000      -1.353200    
 H   -5.287800      -1.030600      0.2863000    
 H   -4.446000       1.818500     -0.4608000    
 H   -4.733300       1.247500       1.180300    
 H   -3.609800      -1.998900      -2.542700    
 H   -2.297500      -3.151800      -2.323500    
 H   -1.949000      -1.420500      -2.450900    
 H   -6.816200       1.330100      -1.052200    
 H   -7.111000      0.7331000      0.5779000    
 H  -0.5981000     -0.8675000     -0.8912000    
 H  -0.7217000     -0.6253000      0.8342000    
 H  -0.9514000      -3.257400       1.995500    
 H   -2.173000      -1.990800       2.154400    
 H   -2.609200      -3.611900       1.585600    
 H   -6.250900       3.595700     -9.2600003E-02
 H   -6.622400       2.983100       1.520600    
 H    1.007400      -2.687000     -0.6243000    
 H   0.9611000      -2.478700       1.147200    
 H   -8.592500       3.114600     -0.8281000    
 H   -8.557500       4.202400      0.5701000    
 H   -8.971600       2.493600      0.7907000    
 H    5.790700      -1.170300      0.2779000    
 H    2.300700       1.358100     -0.1514000    
 H    7.226300      0.8092000      9.9500000E-02
 H    3.739000       3.308600     -0.3261000    
 H    5.995600       4.245400     -0.3499000    
 H    7.412000       3.230500     -0.1771000    


%chk=000050719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050719

0 1
O 1.974013 -0.774080 0.011112
O 3.579875 -2.467073 0.039637
N -1.520034 -2.067361 0.365147
N 7.221856 2.922658 -0.262878
C -2.801422 -1.726474 -0.327418
C -3.442726 -0.386477 0.152200
C -4.899126 -0.172924 -0.321242
C -5.551493 1.089492 0.288123
C -2.622659 -1.777069 -1.860807
C -7.004232 1.319485 -0.186197
C -0.417365 -1.089826 0.221667
C -1.693883 -2.542955 1.751046
C -7.655162 2.580236 0.427587
C 0.921493 -1.825200 0.068364
C -9.105814 2.804193 -0.051411
C 3.300448 -1.239293 -0.002556
C 4.282521 -0.134766 -0.069759
C 5.666697 -0.458901 -0.093030
C 3.900609 1.233994 -0.112133
C 6.642386 0.545226 -0.156580
C 4.868636 2.247589 -0.175557
C 6.259118 1.920886 -0.199213
H -3.502095 -2.543681 -0.053010
H -2.818656 0.464525 -0.191700
H -3.427967 -0.362407 1.261926
H -4.932361 -0.096245 -1.426642
H -5.507015 -1.062734 -0.050751
H -4.937838 1.978691 0.031818
H -5.535150 1.010818 1.395559
H -3.599443 -1.714539 -2.372336
H -2.136701 -2.725024 -2.149392
H -2.000804 -0.940801 -2.232354
H -7.021223 1.402350 -1.293334
H -7.619057 0.430348 0.067510
H -0.581013 -0.473493 -0.678868
H -0.350390 -0.388803 1.086925
H -0.744631 -2.962123 2.130150
H -2.018398 -1.748755 2.469427
H -2.446075 -3.351977 1.773466
H -7.039133 3.467346 0.174201
H -7.637955 2.496512 1.533596
H 0.946120 -2.420583 -0.860875
H 1.134929 -2.500841 0.915741
H -9.146165 2.923308 -1.150776
H -9.548914 3.709674 0.402776
H -9.747910 1.943354 0.215161
H 5.952458 -1.515740 -0.060196
H 2.836861 1.487733 -0.094610
H 7.706044 0.278275 -0.174254
H 4.560027 3.299724 -0.207694
H 6.954714 3.902420 -0.294149
H 8.211704 2.694012 -0.280219


