%chk=000015277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015277

0 1
 O   -5.854200     -0.3813000      0.3788000    
 O    5.883700     -3.0700000E-02 -0.2202000    
 O   4.3699998E-02   1.052000      -1.268100    
 N  -0.3658000      0.2213000     -0.3856000    
 N   0.3850000     -0.4942000      0.3664000    
 C   -1.799700      6.3699998E-02 -0.1863000    
 C    1.770800     -0.3781000      0.2199000    
 C   -2.280600      -1.154100      0.2447000    
 C   -2.627100       1.138200     -0.4351000    
 C   -4.514100     -0.2341000      0.1918000    
 C   -3.654100      -1.304900      0.4358000    
 C   -4.000500      0.9876000     -0.2438000    
 C    2.475700      0.5613000      0.9721000    
 C    2.447900      -1.200800     -0.6804000    
 C    4.535100     -0.1445000     -7.5999998E-02
 C    3.857800      0.6782000      0.8241000    
 C    3.830000      -1.084000     -0.8284000    
 C   -6.675700      0.7540000      0.1105000    
 C    6.541800      0.9503000      0.5800000    
 H   -1.633400      -2.006100      0.4296000    
 H   -2.242600       2.098000     -0.7669000    
 H   -4.048800      -2.259700      0.7725000    
 H   -4.610800       1.860100     -0.4502000    
 H    1.955700       1.206500       1.675700    
 H    1.907000      -1.935600      -1.271000    
 H    4.342800       1.428400       1.439200    
 H    4.352000      -1.727600      -1.531300    
 H   -6.444500       1.586100      0.7841000    
 H   -7.710800      0.4586000      0.3112000    
 H   -6.625500       1.047000     -0.9437000    
 H    6.447200      0.7276000       1.648200    
 H    6.202700       1.962600      0.3353000    
 H    7.608400      0.9031000      0.3369000    


%chk=000015277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015277

0 1
O -5.891975 -0.046961 0.984240
O 6.038530 0.267594 -0.314508
O -0.248030 0.592936 -1.941777
N -0.475127 0.321015 -0.662150
N 0.426862 0.123143 0.287978
C -1.874467 0.225076 -0.235087
C 1.808609 0.187519 0.012065
C -2.214143 -0.054613 1.112788
C -2.876951 0.420767 -1.206989
C -4.582187 0.059083 0.506262
C -3.564881 -0.136220 1.478802
C -4.235643 0.338152 -0.840431
C 2.610740 -0.061627 1.167195
C 2.472533 0.460956 -1.232189
C 4.652952 0.225332 -0.128940
C 4.013239 -0.046198 1.110542
C 3.874124 0.476942 -1.287571
C -6.986224 0.149039 0.027132
C 6.893526 0.011535 0.849101
H -1.416438 -0.201434 1.843301
H -2.575180 0.634679 -2.235192
H -3.861432 -0.349877 2.509772
H -5.003968 0.491180 -1.603219
H 2.093561 -0.267895 2.109662
H 1.878810 0.653428 -2.124843
H 4.591355 -0.242854 2.017911
H 4.394119 0.683477 -2.228109
H -6.954510 1.163101 -0.415556
H -7.906265 0.029196 0.617072
H -6.955539 -0.611084 -0.776993
H 6.722029 -1.003082 1.257330
H 6.728404 0.766116 1.642146
H 7.922666 0.090481 0.470056


