%chk=000060094.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060094

0 1
 O   -3.089400      0.3599000     -5.5199999E-02
 O  -0.9081000     -0.7748000      -1.351700    
 O    2.522600     -0.8473000      -2.088500    
 N  -0.9031000       3.984100     -0.2407000    
 C   -2.674400       2.589600      0.7150000    
 C   -1.276600       2.618000      0.1055000    
 C   -3.084200       1.176600       1.107600    
 C   0.4513000       4.023700     -0.7951000    
 C  -0.9975000       4.857200      0.9308000    
 C   -2.787800     -0.9658000      0.1187000    
 C   -1.695400      -1.527300     -0.5336000    
 C   -3.587700      -1.738500      0.9537000    
 C   -1.399300      -2.877800     -0.3484000    
 C   -3.291500      -3.088900       1.138800    
 C   -2.197500      -3.658500      0.4878000    
 C   0.4163000     -0.6573000      -1.038600    
 C   0.8466000     -0.7081000      0.2332000    
 C    2.250300     -0.5648000      0.6518000    
 C    1.362600     -0.4428000      -2.180100    
 C    3.059100      -1.688900      0.7158000    
 C    2.738900      0.6918000      0.9749000    
 C    4.389400      -1.553300       1.112800    
 C    4.069300      0.8273000       1.371900    
 C    4.894400     -0.2952000       1.440800    
 C   0.8915000      0.2611000      -3.427400    
 H   -3.395400       2.988300     -9.8000001E-03
 H   -2.745100       3.188000       1.628300    
 H   -1.265000       2.007900     -0.8046000    
 H  -0.5579000       2.176500      0.8081000    
 H   -4.093300       1.190400       1.534500    
 H   -2.390800      0.7881000       1.865000    
 H   0.5265000       3.377700      -1.677000    
 H    1.205700       3.704000     -6.7699999E-02
 H   0.7012000       5.037200      -1.128100    
 H  -0.5428000       5.832400      0.7158000    
 H  -0.4861000       4.443000       1.807500    
 H   -2.036300       5.088400       1.185900    
 H   -4.447700      -1.309500       1.460100    
 H  -0.5583000      -3.341200     -0.8576000    
 H   -3.914300      -3.697500       1.787900    
 H   -1.968800      -4.710800      0.6296000    
 H   0.1642000     -0.8190000       1.071700    
 H    2.677100      -2.674900      0.4642000    
 H    2.105700       1.573100      0.9276000    
 H    5.031900      -2.427400       1.166700    
 H    4.462500       1.806800       1.627700    
 H    5.930200     -0.1897000       1.750000    
 H    1.702000      0.8821000      -3.819000    
 H   0.5953000     -0.4805000      -4.173000    
 H   4.6000000E-02  0.9172000      -3.203400    


%chk=000060094-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060094

0 1
O -2.046922 0.156217 -0.121029
O -0.732183 -1.825694 -1.496391
O 1.691769 0.690168 -2.365209
N -0.213925 4.027881 -0.429559
C -2.210954 2.571222 0.024070
C -0.689604 2.773479 0.195645
C -2.711695 1.254165 0.618449
C 1.230333 3.987166 -0.747297
C -0.577288 5.234977 0.337153
C -2.332000 -1.157351 0.255664
C -1.617823 -2.174685 -0.447783
C -3.268230 -1.538789 1.246123
C -1.864771 -3.534110 -0.190340
C -3.506092 -2.909383 1.507478
C -2.816328 -3.908863 0.788707
C 0.427587 -1.021315 -1.207911
C 1.083800 -1.231600 -0.010863
C 2.260053 -0.679545 0.668872
C 0.697920 -0.102381 -2.352185
C 3.149561 0.318961 0.163958
C 2.527881 -1.216993 1.970549
C 4.247869 0.750292 0.935705
C 3.625801 -0.781910 2.734950
C 4.495756 0.208733 2.219206
C -0.291422 -0.127507 -3.503747
H -2.453796 2.612881 -1.053362
H -2.772024 3.389759 0.516905
H -0.170421 1.930611 -0.291051
H -0.428069 2.725004 1.287391
H -3.810091 1.157067 0.500773
H -2.454313 1.171089 1.695201
H 1.443778 3.126583 -1.404546
H 1.882567 3.900996 0.159601
H 1.514756 4.910198 -1.284683
H -0.246265 6.134670 -0.211819
H -0.114093 5.262682 1.358174
H -1.672741 5.303545 0.458231
H -3.823957 -0.778661 1.802867
H -1.308868 -4.281209 -0.765446
H -4.238900 -3.188801 2.272077
H -3.008970 -4.968079 0.985862
H 0.587044 -2.004778 0.598382
H 2.963122 0.733088 -0.829511
H 1.858657 -1.986072 2.377381
H 4.919387 1.514917 0.528772
H 3.805942 -1.211441 3.726661
H 5.354212 0.550642 2.808383
H 0.034837 0.589804 -4.272106
H -0.374778 -1.141787 -3.932973
H -1.299807 0.134757 -3.135176


