%chk=000044297.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044297

0 1
 O   -3.782100      -2.557500      0.2954000    
 C   -1.047600      0.5965000      3.0800000E-02
 C    1.774200     -7.8100003E-02  2.6000001E-02
 C  -0.6177000     -0.7447000      0.1145000    
 C    1.344200       1.263000     -5.8100000E-02
 C   -2.459400      0.8881000      3.6699999E-02
 C   0.7565000      -1.057100      0.1110000    
 C  -2.9999999E-02   1.575400     -5.4600000E-02
 C    3.185800     -0.3698000      2.1000000E-02
 C   -3.386400     -0.1823000      0.1263000    
 C   -1.560900      -1.773400      0.2016000    
 C    4.113100      0.7005000     -6.9100000E-02
 C   -2.924000      -1.497300      0.2074000    
 C    2.287500       2.291500     -0.1456000    
 C    3.650700       2.015400     -0.1509000    
 C   -3.004100       2.194600     -4.1900001E-02
 C    3.730400      -1.676200      0.1013000    
 C   -4.769700      6.6399999E-02  0.1347000    
 C    5.496300      0.4516000     -7.6300003E-02
 C   -4.382000       2.428800     -3.2400001E-02
 C   -5.265100       1.364100      5.5799998E-02
 C    5.108300      -1.910400      9.3000002E-02
 C    5.991400     -0.8459000      4.1000000E-03
 C   -4.209400      -3.143100     -0.9306000    
 H    1.029700      -2.109300      0.1780000    
 H  -0.3031000       2.627700     -0.1217000    
 H   -1.234300      -2.810500      0.2678000    
 H    1.970700       3.331000     -0.2111000    
 H    4.348800       2.847500     -0.2204000    
 H   -2.361400       3.068300     -0.1128000    
 H    3.087600      -2.549800      0.1729000    
 H   -5.493100     -0.7426000      0.2108000    
 H    6.206000       1.274200     -0.1454000    
 H   -4.759000       3.445500     -9.3999997E-02
 H   -6.336200       1.541100      6.5200001E-02
 H    5.485100      -2.927100      0.1563000    
 H    7.062600      -1.022700     -2.6000000E-03
 H   -4.661200      -2.396800      -1.591600    
 H   -4.959300      -3.905700     -0.7027000    
 H   -3.365600      -3.624500      -1.435000    


%chk=000044297-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044297

0 1
O -4.102537 -2.318398 -0.295085
C -1.100694 0.719335 -0.035521
C 1.694661 -0.043139 -0.067860
C -0.706916 -0.671577 -0.136182
C 1.298620 1.348053 0.030665
C -2.532817 1.051020 -0.022128
C 0.669174 -1.013053 -0.148924
C -0.077416 1.688958 0.044468
C 3.125393 -0.379449 -0.079858
C -3.511505 -0.000382 -0.110279
C -1.714326 -1.704766 -0.223699
C 4.098098 0.682282 0.005355
C -3.060534 -1.384855 -0.212580
C 2.313550 2.377016 0.114289
C 3.656088 2.058970 0.102114
C -3.007614 2.393323 0.076361
C 3.604388 -1.720861 -0.173166
C -4.902694 0.310947 -0.098093
C 5.491398 0.368582 -0.005848
C -4.379033 2.688037 0.087862
C -5.336038 1.640376 0.000108
C 4.977501 -2.009630 -0.182870
C 5.932535 -0.957847 -0.098730
C -3.735954 -3.731144 -0.408159
H 0.923995 -2.075511 -0.226169
H -0.331003 2.751720 0.121176
H -1.376021 -2.742797 -0.298910
H 1.989476 3.421979 0.188165
H 4.417036 2.845710 0.165778
H -2.293003 3.218867 0.145246
H 2.894360 -2.551126 -0.238850
H -5.620610 -0.510312 -0.166418
H 6.216473 1.188786 0.059765
H -4.712169 3.728838 0.165310
H -6.406648 1.871660 0.009284
H 5.315830 -3.049116 -0.255611
H 7.003727 -1.186812 -0.106807
H -3.146339 -3.917073 -1.326746
H -4.690497 -4.274630 -0.460407
H -3.160638 -4.065581 0.476756


