%chk=000045120.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045120

0 1
 O  -8.8999998E-03  -2.029500     -0.2715000    
 O   5.3900000E-02  -1.119800       1.846200    
 C  -1.9999999E-04  0.3275000     -0.1155000    
 C    1.302400       1.105900      0.1513000    
 C   -1.296300       1.100200      0.2009000    
 C    2.581400      0.3600000     -0.2485000    
 C   -2.562600      0.3495000     -0.2223000    
 C    3.863400       1.135900      7.6800004E-02
 C   -3.853200       1.120800      7.2700001E-02
 C    5.137900      0.3758000     -0.3022000    
 C   -5.156900      0.3816000     -0.2467000    
 C   1.6600000E-02  -1.001600      0.6282000    
 C    6.420000       1.175400     -4.9500000E-02
 C   -6.447300       1.173500     -1.5500000E-02
 C    7.696700      0.3913000     -0.3562000    
 C   -7.710800      0.4169000     -0.4255000    
 C    8.938400       1.231400     -9.7900003E-02
 C   -8.964100       1.211700     -9.1300003E-02
 C   1.0900000E-02  -3.344200      0.2932000    
 C  -2.1400001E-02  -4.362300     -0.8266000    
 H  -1.6300000E-02  0.1083000      -1.192900    
 H    1.263900       2.059300     -0.3903000    
 H    1.357600       1.354800       1.219000    
 H   -1.344000       1.310200       1.276800    
 H   -1.267600       2.070000     -0.3109000    
 H    2.624800     -0.6066000      0.2667000    
 H    2.550500      0.1452000      -1.323600    
 H   -2.515600      0.1298000      -1.296000    
 H   -2.613100     -0.6150000      0.2963000    
 H    3.886700       1.365200       1.149200    
 H    3.843900       2.096000     -0.4534000    
 H   -3.865800       1.398100       1.134400    
 H   -3.834900       2.061500     -0.4919000    
 H    5.093500      9.9600002E-02  -1.362900    
 H    5.177600     -0.5609000      0.2675000    
 H   -5.194400     -0.5387000      0.3497000    
 H   -5.125100      6.6500001E-02  -1.297500    
 H    6.397600       2.087700     -0.6585000    
 H    6.439600       1.496200      0.9996000    
 H   -6.509100       1.441400       1.046600    
 H   -6.394600       2.115400     -0.5755000    
 H    7.690300      6.7699999E-02  -1.403400    
 H    7.735400     -0.5120000      0.2632000    
 H   -7.686400      0.2088000      -1.501300    
 H   -7.749500     -0.5486000      9.2000000E-02
 H    8.943600       2.127500     -0.7265000    
 H    9.840100      0.6534000     -0.3229000    
 H    8.988700       1.545500      0.9496000    
 H   -8.969100       2.173800     -0.6134000    
 H   -9.032500       1.403400      0.9843000    
 H   -9.856800      0.6558000     -0.3944000    
 H  -0.8639000      -3.476900      0.9395000    
 H   0.9240000      -3.473400      0.8849000    
 H  -0.9203000      -4.233500      -1.438600    
 H   0.8380000      -4.230100      -1.492300    
 H  -7.4000000E-03  -5.381200     -0.4296000    


%chk=000045120-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045120

0 1
O -0.034711 -2.192516 -0.323469
O 0.056774 -1.205193 1.783844
C 0.017584 0.226933 -0.235613
C 1.298425 1.035027 0.113222
C -1.270594 1.027149 0.111314
C 2.612171 0.331838 -0.293986
C -2.580462 0.310705 -0.285143
C 3.869718 1.164630 0.040527
C -3.842576 1.141645 0.036368
C 5.187976 0.448181 -0.330129
C -5.156423 0.411394 -0.322951
C 0.018728 -1.089414 0.535232
C 6.451480 1.270618 0.008789
C -6.425148 1.231393 0.001943
C 7.768042 0.541219 -0.344646
C -7.736860 0.488513 -0.341327
C 9.026846 1.367263 -0.002181
C -9.001132 1.311948 -0.013092
C -0.049020 -3.537674 0.332652
C -0.179000 -4.569774 -0.782923
H 0.017014 -0.016378 -1.315160
H 1.233674 2.018826 -0.394190
H 1.304838 1.231480 1.203756
H -1.274330 1.235026 1.199876
H -1.214839 2.006398 -0.405873
H 2.682414 -0.647622 0.222467
H 2.593300 0.111098 -1.381600
H -2.559633 0.073429 -1.369137
H -2.645860 -0.661742 0.244828
H 3.873623 1.399058 1.125488
H 3.819533 2.139537 -0.488579
H -3.848148 1.393585 1.117439
H -3.798163 2.108164 -0.508352
H 5.184604 0.211266 -1.414957
H 5.233464 -0.526265 0.199990
H -5.196277 -0.554593 0.222895
H -5.151027 0.156874 -1.403775
H 6.415573 2.241019 -0.529568
H 6.450217 1.516330 1.091568
H -6.426493 1.494063 1.080742
H -6.394606 2.193418 -0.551541
H 7.768536 0.294945 -1.426341
H 7.801873 -0.427711 0.194273
H -7.734665 0.225409 -1.419054
H -7.765359 -0.472101 0.212607
H 9.030151 2.329093 -0.549280
H 9.953388 0.824904 -0.266633
H 9.067005 1.597862 1.079305
H -9.010286 2.264709 -0.575752
H -9.043574 1.559806 1.064484
H -9.923964 0.759398 -0.269283
H -0.894513 -3.569668 1.043569
H 0.886497 -3.651548 0.910092
H -1.113507 -4.419852 -1.350226
H 0.668823 -4.499771 -1.485778
H -0.191801 -5.588130 -0.353133


