%chk=000049963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049963

0 1
 O   -3.415800      -2.099000      0.3571000    
 C   -3.763100     -0.7926000      0.7064000    
 C   -2.720400      -1.166100     -0.4379000    
 C   -4.580500      0.2537000      5.5900000E-02
 C   -1.655400     -0.1262000     -0.2224000    
 C   -3.651000       1.498600     -0.1453000    
 C   -2.138800       1.213000     -0.1510000    
 C  -0.2660000     -0.3868000     -0.1632000    
 C   0.6631000      0.6834000     -3.7400000E-02
 C   -1.236600       2.262400     -4.0500000E-02
 C   0.1330000       1.997600      1.5600000E-02
 C   0.2150000      -1.701500     -0.2332000    
 C    2.074500      0.3956000      2.3200000E-02
 C    2.511600     -0.9517000     -4.8200000E-02
 C    1.577100      -1.979200     -0.1759000    
 C    3.086600       1.381500      0.1513000    
 C    3.880200      -1.267600      7.3000002E-03
 C    4.444700       1.055300      0.2052000    
 C    4.841800     -0.2704000      0.1329000    
 H   -3.436900     -0.4861000       1.695100    
 H   -3.034300      -1.226200      -1.478000    
 H   -5.439100      0.5300000      0.6774000    
 H   -4.983600     -7.8199998E-02 -0.9088000    
 H   -3.847000       2.191100      0.6843000    
 H   -3.928500       2.012700      -1.072800    
 H   -1.585900       3.289600      1.6700000E-02
 H   0.7864000       2.861800      0.1077000    
 H  -0.4672000      -2.543600     -0.3318000    
 H    1.896700      -3.018100     -0.2328000    
 H    2.838300       2.437900      0.2134000    
 H    4.211700      -2.303100     -4.8099998E-02
 H    5.187100       1.841900      0.3037000    
 H    5.895200     -0.5296000      0.1743000    


%chk=000049963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049963

0 1
O -3.520240 -2.236674 0.337847
C -3.853948 -0.767062 0.584192
C -2.783859 -1.099623 -0.391055
C -4.755651 0.306756 0.012690
C -1.631421 -0.169017 -0.150254
C -3.686241 1.497147 -0.131684
C -2.160275 1.154987 -0.088097
C -0.232533 -0.431847 -0.117034
C 0.693957 0.669142 -0.011171
C -1.226503 2.227741 0.003460
C 0.155544 1.990550 0.040789
C 0.259262 -1.790752 -0.182542
C 2.132430 0.389381 0.028889
C 2.581655 -0.979847 -0.044628
C 1.614646 -2.051109 -0.152322
C 3.121948 1.414682 0.139421
C 3.980667 -1.269679 -0.009168
C 4.489691 1.109326 0.172987
C 4.926955 -0.244144 0.097571
H -3.495775 -0.517120 1.593547
H -3.091157 -1.143071 -1.447394
H -5.586824 0.615674 0.669929
H -5.167199 0.029589 -0.972716
H -3.872607 2.236623 0.670632
H -3.888615 2.026285 -1.083504
H -1.596687 3.259208 0.052486
H 0.827759 2.850470 0.116557
H -0.472340 -2.603153 -0.249474
H 1.986126 -3.081298 -0.205610
H 2.817388 2.464082 0.200587
H 4.302888 -2.316190 -0.066814
H 5.226833 1.915264 0.258021
H 5.997027 -0.476221 0.124061


