%chk=000005050.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005050

0 1
 O   0.4081000      0.5191000     -5.7000001E-03
 O    2.925100      0.2148000     -1.2800000E-02
 O   -3.757600       2.871000      1.5100000E-02
 O   -1.347500       4.159500      1.3200000E-02
 O    3.382700       2.484100     -5.2000000E-03
 N   -3.770900      0.5840000      8.2000000E-03
 C    5.968500      -2.052600     -5.4000001E-03
 C   -3.093000     -0.6448000      1.7000000E-03
 C   -1.693600     -0.6633000     -3.7000000E-03
 C    4.499700      -1.599300     -2.2000000E-02
 C  -0.9726000      0.6194000     -1.2000001E-03
 C   -3.830700      -1.832300       0.000000    
 C   -1.638900       1.789400      5.2000000E-03
 C   -3.167300      -3.057100     -7.4000000E-03
 C    4.324600     -8.5299999E-02 -1.6100001E-02
 C   -1.040600      -1.904000     -1.1100000E-02
 C    6.691500      -1.638200       1.276900    
 C    6.702700      -1.481000      -1.220500    
 C   -3.137400       1.809000      9.6000005E-03
 C   -1.774800      -3.093000     -1.3100000E-02
 C  -0.8334000       3.046300      7.4000000E-03
 C   -5.327600      -1.815100      5.1000002E-03
 C    1.155300       1.674000     -3.8999999E-03
 C   0.6384000       2.905700      2.0999999E-03
 C   -3.922100      -4.346200     -8.9999996E-03
 C    2.611400       1.535900     -7.4000000E-03
 H    5.982900      -3.147500     -7.1400002E-02
 H    3.970900      -2.027100      0.8395000    
 H    3.994400      -2.013100     -0.9045000    
 H    4.776900      0.3562000      0.8778000    
 H    4.767700      0.3652000     -0.9100000    
 H   -4.785700      0.5858000      1.1500000E-02
 H   4.4799998E-02  -1.968800     -1.5600000E-02
 H    6.805900     -0.5527000       1.356500    
 H    7.695200      -2.076300       1.305700    
 H    6.148900      -1.991500       2.159800    
 H    7.694200      -1.939400      -1.308800    
 H    6.855400     -0.3996000      -1.147300    
 H    6.158800      -1.694000      -2.146900    
 H   -1.240300      -4.039500     -1.8900000E-02
 H   -5.691900      -1.295800      0.8987000    
 H   -5.697900      -1.295200     -0.8857000    
 H   -5.806300      -2.796100      7.0000002E-03
 H    1.230100       3.813400      3.8999999E-03
 H   -4.538000      -4.439300      0.8917000    
 H   -4.546800      -4.432000     -0.9042000    
 H   -3.244000      -5.207500     -1.5900001E-02


%chk=000005050-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005050

0 1
O 0.338846 0.584658 0.006635
O 2.923625 0.224434 0.006139
O -3.977292 2.897883 0.031887
O -1.473788 4.341730 0.040662
O 3.392967 2.513906 0.017395
N -3.801721 0.591434 0.009803
C 6.002378 -2.094985 0.000250
C -3.135812 -0.633425 -0.001127
C -1.707233 -0.617303 -0.002992
C 4.530476 -1.586022 0.001208
C -1.057374 0.673647 0.007611
C -3.864423 -1.863878 -0.010279
C -1.732169 1.900682 0.018502
C -3.135767 -3.080789 -0.021607
C 4.396482 -0.062894 0.002571
C -0.997688 -1.847972 -0.014116
C 6.773395 -1.679090 1.277657
C 6.772953 -1.674492 -1.275840
C -3.215659 1.891260 0.017938
C -1.707060 -3.053686 -0.023355
C -0.965742 3.178898 0.029822
C -5.382460 -1.819308 -0.007755
C 1.092584 1.764896 0.016523
C 0.504829 2.998549 0.027316
C -3.841601 -4.426428 -0.031873
C 2.574555 1.563022 0.014918
H 5.936608 -3.202918 -0.001541
H 4.006562 -1.984723 0.891357
H 4.006105 -1.983374 -0.889304
H 4.836292 0.410601 0.897901
H 4.831671 0.411544 -0.894566
H -4.825671 0.611555 0.012187
H 0.095479 -1.829612 -0.015173
H 6.949699 -0.587480 1.310609
H 7.762443 -2.171442 1.312104
H 6.221125 -1.963226 2.192918
H 7.762249 -2.166155 -1.312163
H 6.948556 -0.582658 -1.305044
H 6.220720 -1.955720 -2.192045
H -1.162397 -4.003784 -0.032076
H -5.775246 -1.301927 0.890353
H -5.777793 -1.288191 -0.896699
H -5.821647 -2.827250 -0.014841
H 1.137683 3.889722 0.034732
H -4.484377 -4.559458 0.858562
H -4.489306 -4.543350 -0.920978
H -3.110856 -5.251683 -0.041290


