%chk=000050309.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050309

0 1
 O   -3.728600       1.135400      0.1607000    
 O   -5.166900      -2.640400      0.6129000    
 N    1.783700       1.090100      0.6292000    
 N    4.441000      0.2129000      5.5599999E-02
 C    2.077500     -0.3399000      0.4754000    
 C    2.936700       1.775200       1.226400    
 C    3.292400     -0.5579000     -0.4300000    
 C    4.179500       1.628400      0.3454000    
 C   0.5900000       1.283100       1.451700    
 C  -0.6223000      0.6293000      0.7896000    
 C   -1.874200      0.8327000       1.635400    
 C    5.735200     -0.1503000     -0.3335000    
 C   -3.076900      0.2211000      0.9765000    
 C    5.972900     -0.7627000      -1.580200    
 C    6.839700      8.5900001E-02  0.5091000    
 C   -3.484600      -1.049700       1.170900    
 C   -4.722500      -1.507500      0.4756000    
 C   -4.860400      0.7469000     -0.5025000    
 C   -5.396900     -0.5302000     -0.3896000    
 C    7.263000      -1.124100      -1.968600    
 C    8.129700     -0.2754000      0.1207000    
 C   -2.795600      -2.082800       2.013500    
 C    8.341400     -0.8805000      -1.118300    
 C   -5.480400       1.695600      -1.316700    
 C   -6.557800     -0.8720000      -1.089000    
 C   -6.639100       1.359400      -2.017000    
 C   -7.176800      7.7200003E-02  -1.903200    
 H    1.267400     -0.8849000     -1.4600000E-02
 H    2.254500     -0.8103000       1.451900    
 H    3.148400       1.377700       2.228300    
 H    2.721400       2.844800       1.338200    
 H    3.048000     -0.2549000      -1.456500    
 H    3.523000      -1.630500     -0.4389000    
 H    5.022800       2.098000      0.8647000    
 H    4.039200       2.169800     -0.5992000    
 H   0.7333000      0.8743000       2.460600    
 H   0.3909000       2.356700       1.560700    
 H  -0.4964000     -0.4508000      0.6766000    
 H  -0.7717000       1.049400     -0.2136000    
 H   -1.727900      0.4246000       2.642100    
 H   -2.051700       1.906000       1.784400    
 H    5.159600     -0.9566000      -2.274900    
 H    6.697800      0.5447000       1.485100    
 H    7.428600      -1.592700      -2.934300    
 H    8.969200     -8.8299997E-02  0.7838000    
 H   -2.597000      -2.983900       1.422900    
 H   -1.834100      -1.748300       2.410200    
 H   -3.428100      -2.359400       2.863400    
 H    9.345800      -1.161800      -1.420600    
 H   -5.067900       2.696500      -1.410300    
 H   -6.991600      -1.865100      -1.013300    
 H   -7.123000       2.096400      -2.651200    
 H   -8.079100     -0.1825000      -2.449300    


%chk=000050309-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050309

0 1
O -3.788498 1.150987 0.263366
O -5.482567 -2.654663 0.468712
N 1.810954 0.808382 0.700401
N 4.577860 0.205282 0.046726
C 2.291842 -0.591277 0.611511
C 2.916871 1.675908 1.176631
C 3.491355 -0.711277 -0.346799
C 4.109720 1.600899 0.210586
C 0.587774 0.958082 1.524016
C -0.673733 0.388928 0.842449
C -1.943676 0.658064 1.698978
C 5.904884 -0.052798 -0.383774
C -3.200619 0.138627 1.047880
C 6.215532 -1.154331 -1.239497
C 6.992249 0.761708 0.061740
C -3.732737 -1.133276 1.134100
C -4.967896 -1.486661 0.400942
C -4.960229 0.876185 -0.463094
C -5.568093 -0.403301 -0.417944
C 7.548618 -1.432369 -1.610506
C 8.316770 0.479919 -0.324545
C -3.109186 -2.233911 1.961870
C 8.614319 -0.621774 -1.161836
C -5.495650 1.936073 -1.227163
C -6.753654 -0.611063 -1.172864
C -6.670562 1.704901 -1.965537
C -7.302182 0.429653 -1.939793
H 1.480436 -1.236338 0.231351
H 2.596724 -0.975277 1.619454
H 3.258761 1.380742 2.201772
H 2.555255 2.720144 1.220549
H 3.147896 -0.510247 -1.388315
H 3.858962 -1.750632 -0.299135
H 4.924573 2.230478 0.598911
H 3.795923 2.017632 -0.773960
H 0.708076 0.485461 2.535590
H 0.434335 2.041947 1.695311
H -0.575593 -0.701242 0.681340
H -0.785079 0.857042 -0.152509
H -1.822362 0.200040 2.697284
H -2.057546 1.747902 1.848957
H 5.419520 -1.788242 -1.640542
H 6.811104 1.603238 0.737912
H 7.749336 -2.285371 -2.269632
H 9.125845 1.122025 0.043354
H -2.925068 -3.119866 1.327778
H -2.162375 -1.934501 2.437918
H -3.814651 -2.566261 2.745331
H 9.646327 -0.838324 -1.456319
H -4.991193 2.906612 -1.230128
H -7.211712 -1.604607 -1.128877
H -7.099843 2.515408 -2.564218
H -8.216017 0.264037 -2.519531


