%chk=000115600.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115600

0 1
 O   0.8659000      0.5091000      0.2419000    
 O    1.637400       1.753000      -1.545500    
 N   -5.290300      -1.035000     -0.1539000    
 N   -2.802400      0.2758000      0.4548000    
 C   -5.200500     -0.1609000       1.029300    
 C   -4.630600     -0.2139000      -1.184900    
 C   -5.578600       1.232800      0.5086000    
 C   -5.196600       1.197400     -0.9745000    
 C   -3.724500     -0.2164000       1.491700    
 C   -3.115400     -0.2733000     -0.8749000    
 C   -1.409000      4.7300000E-02  0.8188000    
 C    3.200500      0.7435000      1.3000000E-03
 C   -6.662100      -1.396200     -0.4983000    
 C    3.377400       1.398500       1.385000    
 C    4.276400       1.487000     -0.8139000    
 C    3.684300       2.868200       1.108600    
 C    4.265300       2.924300     -0.2988000    
 C  -0.4773000      0.7437000     -0.1601000    
 C    1.830400       1.075400     -0.5452000    
 C    3.352300     -0.7722000      1.5000000E-03
 C    3.878400      -1.420400      -1.115900    
 C    2.965500      -1.511800       1.119200    
 C    4.017600      -2.808400      -1.115800    
 C    3.104900      -2.899700       1.119300    
 C    3.630900      -3.547900      1.7000000E-03
 H   -5.847700     -0.4866000       1.851300    
 H   -4.805500     -0.5838000      -2.201500    
 H   -6.656800       1.405500      0.6063000    
 H   -5.064400       2.038500       1.042800    
 H   -4.479200       1.984400      -1.229500    
 H   -6.091600       1.353100      -1.588100    
 H   -3.475200      -1.249400       1.771100    
 H   -3.613200      0.4007000       2.391700    
 H   -2.615700      0.3108000      -1.655100    
 H   -2.770400      -1.312800     -0.9606000    
 H   -1.170700      -1.023500      0.8677000    
 H   -1.209300      0.4458000       1.822100    
 H   -7.316400     -0.5393000     -0.6873000    
 H   -6.668900      -2.029400      -1.392300    
 H   -7.106700      -1.988400      0.3091000    
 H    2.505700       1.308300       2.042400    
 H    4.232400      0.9561000       1.914000    
 H    5.268600       1.056600     -0.6206000    
 H    4.120100       1.460500      -1.898100    
 H    4.376400       3.276500       1.852100    
 H    2.766000       3.465200       1.155700    
 H    3.642400       3.561400     -0.9368000    
 H    5.273400       3.351700     -0.3031000    
 H  -0.5850000      0.3471000      -1.174400    
 H  -0.6711000       1.823200     -0.1705000    
 H    4.174400     -0.8744000      -2.006500    
 H    2.542800      -1.039200       2.000600    
 H    4.423700      -3.313800      -1.987200    
 H    2.801300      -3.476300       1.988100    
 H    3.738000      -4.628700      1.2000001E-03


%chk=000115600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115600

0 1
O 0.834996 0.630065 0.348574
O 1.664323 1.455771 -1.656227
N -5.551635 -0.915304 0.215761
N -2.888499 0.225707 0.403972
C -5.307152 0.367163 0.956161
C -4.721459 -0.678350 -1.011027
C -5.440081 1.503459 -0.120107
C -5.042932 0.793637 -1.456143
C -3.869295 0.293938 1.518873
C -3.241556 -0.822722 -0.590178
C -1.484240 0.166450 0.859573
C 3.260094 0.714171 0.115733
C -6.980219 -1.184760 -0.067086
C 3.312646 1.190161 1.596955
C 4.320012 1.639413 -0.563667
C 3.408799 2.732389 1.488422
C 4.247637 3.002021 0.194625
C -0.546805 0.760929 -0.199080
C 1.871495 0.998444 -0.508043
C 3.527994 -0.787820 -0.104060
C 3.870134 -1.259540 -1.399632
C 3.418588 -1.728086 0.951232
C 4.113943 -2.630970 -1.629304
C 3.664914 -3.101246 0.723899
C 4.015194 -3.558968 -0.566594
H -6.022037 0.469146 1.791486
H -4.957376 -1.430852 -1.783604
H -6.474874 1.889695 -0.156051
H -4.763765 2.344931 0.105152
H -4.163264 1.269544 -1.920773
H -5.870938 0.809401 -2.187821
H -3.810734 -0.596923 2.190522
H -3.649189 1.197552 2.119526
H -2.590713 -0.713225 -1.477543
H -3.096091 -1.850816 -0.177039
H -1.152953 -0.872699 1.101916
H -1.388434 0.761807 1.786244
H -7.501030 -0.388059 -0.650534
H -7.063702 -2.130325 -0.632360
H -7.518838 -1.315120 0.888626
H 2.445626 0.855925 2.189034
H 4.231955 0.780778 2.059253
H 5.314180 1.172548 -0.441036
H 4.125493 1.755166 -1.642504
H 3.860925 3.182803 2.389610
H 2.394916 3.162859 1.383765
H 3.770197 3.778656 -0.428123
H 5.262103 3.362432 0.442425
H -0.591256 0.225366 -1.163726
H -0.768301 1.826923 -0.380314
H 3.938244 -0.550769 -2.232609
H 3.137257 -1.391478 1.953959
H 4.378482 -2.974898 -2.635736
H 3.579604 -3.812857 1.553211
H 4.204916 -4.623765 -0.742986


