%chk=000020425.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020425

0 1
 O    5.275000       2.332400      -1.140500    
 O   7.2999999E-02 -6.1200000E-02   1.047300    
 O   -1.270600     -0.1383000     -0.8260000    
 N    3.320200       1.036100      0.4719000    
 C    2.900500      0.3200000       1.674800    
 C    2.273200      -1.022500       1.297900    
 C    4.341500      0.2734000     -0.2596000    
 C    3.835100       2.369800      0.8115000    
 C    1.043500     -0.8762000      0.3868000    
 C    4.772900       1.045600      -1.503200    
 C    4.277400       3.092400     -0.4577000    
 C   0.3848000      -2.188100      2.9100001E-02
 C   0.7997000      -2.868100      -1.104300    
 C  -0.6210000      -2.685500      0.8414000    
 C   -1.045600      0.2336000      0.3177000    
 C   -1.960600       1.096100       1.154100    
 C   0.1918000      -4.079300      -1.434600    
 C   -1.228700      -3.896900      0.5111000    
 C  -0.8223000      -4.593700     -0.6269000    
 C   -3.245300       1.446800      0.4488000    
 C   -3.306700       2.596800     -0.3247000    
 C   -4.346700      0.6140000      0.5833000    
 C   -4.495600       2.921500     -0.9778000    
 C   -5.535600      0.9387000     -7.0000000E-02
 C   -5.610000       2.092400     -0.8505000    
 H    2.166000      0.9173000       2.229200    
 H    3.746400      0.1480000       2.353000    
 H    3.000300      -1.722800      0.8735000    
 H    1.949500      -1.489200       2.239400    
 H    5.215200      9.1499999E-02  0.3795000    
 H    3.967100     -0.6907000     -0.6140000    
 H    3.057300       2.963600       1.305000    
 H    4.686800       2.285200       1.498900    
 H    1.333900     -0.3633000     -0.5399000    
 H    5.577000      0.5081000      -2.016100    
 H    3.945900       1.162400      -2.214400    
 H    3.432900       3.278400      -1.132600    
 H    4.715700       4.062100     -0.2009000    
 H    1.590200      -2.475900      -1.737700    
 H  -0.9391000      -2.183300       1.750200    
 H   -2.187300      0.5635000       2.085600    
 H   -1.424400       2.014400       1.422500    
 H   0.5088000      -4.622400      -2.320100    
 H   -2.013700      -4.301200       1.143600    
 H   -1.294500      -5.537600     -0.8831000    
 H   -2.443700       3.247800     -0.4320000    
 H   -4.298000     -0.2880000       1.186600    
 H   -4.553400       3.819400      -1.586100    
 H   -6.403100      0.2929000      2.8300000E-02
 H   -6.535700       2.344900      -1.359400    


%chk=000020425-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020425

0 1
O 3.463114 2.704026 -1.999046
O -0.711465 -0.927997 0.836004
O -1.332918 -1.053045 -1.416145
N 2.087756 1.154402 0.037776
C 1.659257 0.720658 1.388168
C 1.605274 -0.817226 1.530377
C 3.542917 0.986267 -0.204665
C 1.668520 2.542913 -0.288571
C 0.669482 -1.464934 0.499412
C 3.874139 1.330951 -1.666382
C 2.017686 2.860139 -1.750611
C 0.646129 -2.983518 0.512050
C 0.825644 -3.696544 -0.699059
C 0.446826 -3.710795 1.714299
C -1.588166 -0.741670 -0.230636
C -2.865573 -0.049722 0.244981
C 0.823771 -5.109539 -0.710023
C 0.436235 -5.122195 1.704892
C 0.629833 -5.826541 0.492720
C -2.702097 1.469190 0.168198
C -2.550482 2.244527 1.344752
C -2.671957 2.119733 -1.092505
C -2.380153 3.646386 1.266046
C -2.500067 3.519631 -1.172862
C -2.354860 4.288510 0.006451
H 0.644524 1.122013 1.562880
H 2.322587 1.136834 2.188141
H 2.610703 -1.262350 1.404249
H 1.275551 -1.066591 2.556938
H 4.144485 1.642985 0.474637
H 3.835556 -0.062004 -0.007952
H 0.575689 2.633102 -0.144178
H 2.170221 3.290927 0.376294
H 0.915561 -1.085977 -0.508487
H 4.961467 1.296954 -1.847306
H 3.359431 0.612156 -2.340498
H 1.447029 2.182593 -2.421550
H 1.788650 3.909959 -1.997508
H 0.949053 -3.139287 -1.634594
H 0.288286 -3.173253 2.656342
H -3.684269 -0.383816 -0.414980
H -3.084416 -0.362834 1.278551
H 0.963897 -5.648478 -1.653685
H 0.278066 -5.674175 2.638389
H 0.624107 -6.922404 0.486267
H -2.568555 1.749756 2.323270
H -2.775110 1.525112 -2.007789
H -2.271095 4.234487 2.184295
H -2.483095 4.010591 -2.152486
H -2.227166 5.374995 -0.055962


