%chk=000035773.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035773

0 1
 O    1.718200       1.105000     -0.5568000    
 O    3.906100     -0.5368000      0.1905000    
 O   0.3162000       2.704000      -1.406700    
 O   -1.078500      0.6689000       2.100500    
 C  -0.5954000      0.7669000     -0.2374000    
 C   0.1559000     -0.5373000     -9.8999999E-03
 C    1.566600     -5.8699999E-02  0.2655000    
 C   -1.750300      0.5901000      -1.216800    
 C   0.4886000       1.648500     -0.8159000    
 C   -1.142000       1.309600       1.052400    
 C    2.627600      -1.082300     -9.3000002E-02
 C   -2.832900     -0.2861000     -0.6477000    
 C   -1.768700       2.676700      0.9999000    
 C   -2.782100      -1.658200     -0.8542000    
 C   -3.868700      0.2886000      7.6300003E-02
 C   -3.786000      -2.470600     -0.3268000    
 C   -4.872500     -0.5237000      0.6038000    
 C    4.948200      -1.451600     -0.1252000    
 C   -4.831100      -1.903400      0.4021000    
 C    6.254200     -0.8647000      0.1762000    
 C    7.326600     -0.3849000      0.4230000    
 H   0.1603000      -1.139700     -0.9279000    
 H  -0.2208000      -1.175800      0.7953000    
 H    1.693400      0.2638000       1.306400    
 H   -1.385400      0.1502000      -2.156500    
 H   -2.182600       1.545900      -1.537500    
 H    2.577500      -1.320400      -1.162400    
 H    2.477800      -1.999300      0.4883000    
 H  -0.9949000       3.422600       1.202600    
 H   -2.233700       2.911100      4.3800000E-02
 H   -2.536500       2.747900       1.776200    
 H   -1.981100      -2.114300      -1.428500    
 H   -3.949000       1.360600      0.2134000    
 H   -3.755400      -3.544500     -0.4862000    
 H   -5.691600     -8.1299998E-02   1.163300    
 H    4.814800      -2.370400      0.4574000    
 H    4.897700      -1.708200      -1.189800    
 H   -5.614200      -2.535500      0.8104000    
 H    8.277900      4.0899999E-02  0.6421000    


%chk=000035773-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035773

0 1
O 1.675743 1.187491 -0.758918
O 3.932487 -0.564559 0.302796
O 0.170753 2.643504 -1.762010
O -0.976886 0.977620 2.152713
C -0.658472 0.795219 -0.273925
C 0.135531 -0.485986 0.061062
C 1.595009 0.004630 0.180913
C -1.900639 0.563448 -1.206427
C 0.384423 1.667022 -1.022902
C -1.072640 1.548770 1.037281
C 2.643982 -1.016029 -0.228143
C -2.944512 -0.380941 -0.628732
C -1.552608 2.986154 0.919374
C -2.963172 -1.749587 -1.001707
C -3.926019 0.081761 0.286253
C -3.926082 -2.636016 -0.468595
C -4.889968 -0.799495 0.822458
C 5.038774 -1.414233 -0.178992
C -4.892052 -2.163406 0.448770
C 6.300006 -0.971943 0.424944
C 7.381046 -0.633429 0.908396
H 0.041662 -1.218104 -0.762556
H -0.215091 -0.945838 0.997569
H 1.823342 0.389498 1.190452
H -1.512074 0.158022 -2.159504
H -2.343241 1.546217 -1.447483
H 2.670193 -1.101027 -1.336811
H 2.377278 -2.009089 0.201123
H -0.675405 3.657442 1.004631
H -2.023976 3.210951 -0.049728
H -2.234329 3.218600 1.753194
H -2.227574 -2.121148 -1.726497
H -3.943994 1.139515 0.576771
H -3.927198 -3.688739 -0.772805
H -5.640122 -0.423318 1.526883
H 4.846820 -2.477908 0.089202
H 5.106731 -1.348780 -1.287557
H -5.641406 -2.847270 0.862448
H 8.317879 -0.325416 1.336257


