%chk=000039210.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039210

0 1
 O   -3.032000       1.538100     -0.8480000    
 O    4.439800      0.9915000       1.108500    
 O   -1.764000     -0.3244000     -0.4562000    
 N   -6.065900     -0.4226000      2.2399999E-02
 N  -0.8675000       1.837000     -0.2988000    
 C   -6.986700     -0.2963000       1.160900    
 C   -5.635800      -1.816000     -0.1609000    
 C   -8.228900      -1.167000      0.9654000    
 C   -6.833800      -2.736300     -0.3996000    
 C   -7.852300      -2.625100      0.7293000    
 C   -4.906800      0.4510000      0.2024000    
 C   -4.162300      0.6987000      -1.111800    
 C   -5.018300       1.395100      -2.162000    
 C    7.241900      -1.234300     -3.6400001E-02
 C   -1.867400      0.8942000     -0.5246000    
 C    8.753700      -1.057200     -0.2034000    
 C    6.535200      2.1900000E-02  0.4704000    
 C    9.457300      -2.306900     -0.7340000    
 C    5.041300     -0.2122000      0.6517000    
 C    10.96290      -2.103800     -0.8131000    
 C   0.4657000       1.624800      5.3199999E-02
 C    3.130900       1.200100      0.7593000    
 C    1.320400       2.711800      0.2364000    
 C   0.9436000      0.3254000      0.2232000    
 C    2.652900       2.499500      0.5895000    
 C    2.276200      0.1130000      0.5763000    
 H   -7.317500      0.7447000       1.260100    
 H   -6.486900     -0.5713000       2.099100    
 H   -5.072800      -2.169500      0.7131000    
 H   -4.979300      -1.917000      -1.030800    
 H   -8.877000      -1.090500       1.845700    
 H   -8.806800     -0.7957000      0.1094000    
 H   -7.313400      -2.475800      -1.351800    
 H   -6.492200      -3.774000     -0.4871000    
 H   -8.746300      -3.210700      0.4887000    
 H   -7.427600      -3.047000       1.648500    
 H   -5.226700       1.431700      0.5823000    
 H   -4.224000      5.9400000E-02  0.9683000    
 H   -3.818000     -0.2389000      -1.561600    
 H   -4.421900       1.612400      -3.055200    
 H   -5.875000      0.7843000      -2.461600    
 H   -5.386000       2.358100      -1.790900    
 H    6.808300      -1.528900      -1.000100    
 H    7.055200      -2.061000      0.6603000    
 H    9.187200     -0.7809000      0.7660000    
 H    8.944700     -0.2191000     -0.8851000    
 H    6.971700      0.3435000       1.424100    
 H    6.694200      0.8528000     -0.2283000    
 H    9.070400      -2.556300      -1.728700    
 H    9.243900      -3.159300     -7.8800000E-02
 H    4.631600     -0.5270000     -0.3169000    
 H    4.871600      -1.001900       1.392700    
 H   -1.148600       2.808800     -0.4053000    
 H    11.21190      -1.274200      -1.482400    
 H    11.38230      -1.887200      0.1745000    
 H    11.44710      -3.007200      -1.196900    
 H   0.9613000       3.729800      0.1075000    
 H   0.3396000     -0.5636000      0.1054000    
 H    3.314300       3.349900      0.7312000    
 H    2.602000     -0.9120000      0.7264000    


%chk=000039210-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039210

0 1
O -3.274460 1.835337 -0.629125
O 4.555588 1.148453 -0.038683
O -2.007543 -0.152759 -0.816990
N -6.084428 -0.520080 0.286092
N -1.036033 1.967916 -0.387496
C -7.103687 -0.549322 1.365572
C -5.555051 -1.880710 0.001521
C -8.288927 -1.455539 0.971069
C -6.687928 -2.828636 -0.439979
C -7.800079 -2.883023 0.632928
C -5.009516 0.475223 0.500666
C -4.532605 1.051938 -0.854846
C -5.532450 2.016636 -1.487215
C 7.442751 -1.345798 -0.096960
C -2.077786 1.089757 -0.624188
C 8.972320 -1.158673 0.019093
C 6.674996 -0.005812 -0.027707
C 9.757783 -2.488991 -0.025659
C 5.162185 -0.189882 -0.163546
C 11.284774 -2.289210 0.085288
C 0.355982 1.676089 -0.311520
C 3.157835 1.247105 -0.138266
C 1.242683 2.764821 -0.085766
C 0.885709 0.369631 -0.448473
C 2.627890 2.554233 -0.000163
C 2.279882 0.158591 -0.361312
H -7.457621 0.484082 1.539976
H -6.666883 -0.921675 2.330448
H -5.054014 -2.305891 0.911273
H -4.781219 -1.808257 -0.783442
H -9.025345 -1.479573 1.797561
H -8.789383 -1.016820 0.086040
H -7.109971 -2.460742 -1.395266
H -6.272444 -3.838421 -0.622587
H -8.644185 -3.509187 0.286737
H -7.398892 -3.360131 1.551391
H -5.401301 1.305217 1.118611
H -4.134507 0.040532 1.038662
H -4.284817 0.220349 -1.539347
H -5.203087 2.335054 -2.491010
H -6.505894 1.503103 -1.573180
H -5.658417 2.916018 -0.857700
H 7.210121 -1.862730 -1.051675
H 7.094757 -2.017678 0.715456
H 9.205671 -0.628352 0.965976
H 9.323924 -0.498545 -0.801027
H 6.885241 0.499879 0.934459
H 7.024879 0.672874 -0.829275
H 9.521432 -3.021246 -0.969889
H 9.409104 -3.146341 0.797054
H 4.900071 -0.628444 -1.149667
H 4.767502 -0.853528 0.634918
H -1.318085 2.943216 -0.268742
H 11.663359 -1.659423 -0.741875
H 11.551647 -1.789464 1.035657
H 11.822970 -3.254176 0.048592
H 0.845746 3.782206 0.021780
H 0.208235 -0.468699 -0.623631
H 3.316871 3.386401 0.172066
H 2.662046 -0.860508 -0.470781


