%chk=000078239.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078239

0 1
 O   -1.231900       1.539000       1.962100    
 O   1.9200001E-02  -1.528100       1.596600    
 O    5.416800      -1.853300     -0.8443000    
 N  -0.4322000       2.891300     -0.3721000    
 N   0.5934000       3.771200     -0.4400000    
 C    1.351500       1.801600      0.6307000    
 C   9.2000002E-03   1.538300     -4.3099999E-02
 C    2.434200      0.8279000      0.2378000    
 C   -1.006400      0.9614000      0.8850000    
 C    1.592200       3.197400      0.1429000    
 C   -1.717700     -0.2637000      0.5206000    
 C   -2.928300     -0.2263000     -0.1905000    
 C    3.154600      0.1469000       1.221000    
 C    2.719800      0.6045000      -1.111000    
 C   -1.154600      -1.481200      0.9044000    
 C   -3.576600      -1.441100     -0.5171000    
 C   -1.792100      -2.675900      0.5828000    
 C    4.156100     -0.7534000      0.8575000    
 C    3.721200     -0.2959000      -1.474600    
 C   -3.509500      0.9899000     -0.5847000    
 C   -2.995300      -2.657500     -0.1233000    
 C    4.439300     -0.9749000     -0.4902000    
 C   -4.787000      -1.404100      -1.228200    
 C   -4.712800       1.008000      -1.290500    
 C   -5.350500     -0.1867000      -1.611700    
 C  -6.7500003E-02  -1.502900       3.019400    
 C    5.654700      -2.032300      -2.239800    
 H    1.278700       1.859000       1.724200    
 H   7.6499999E-02  0.9378000     -0.9561000    
 H    2.561900       3.691600      0.3020000    
 H   -1.007500       2.925500      -1.210800    
 H    2.944900      0.3077000       2.275100    
 H    2.183000       1.131900      -1.895100    
 H   -1.358900      -3.627900      0.8776000    
 H   -3.060100       1.948200     -0.3437000    
 H    4.711800      -1.279800       1.628700    
 H    3.891500     -0.4181000      -2.538700    
 H   -3.476100      -3.603500     -0.3640000    
 H   -5.302900      -2.325600      -1.489900    
 H   -5.154100       1.955400      -1.586200    
 H   -6.287600     -0.1718000      -2.160400    
 H   0.9444000      -1.405300       3.422000    
 H  -0.4991000      -2.439800       3.385400    
 H  -0.6656000     -0.6573000       3.370700    
 H    6.462600      -2.764700      -2.338600    
 H    6.002800      -1.106700      -2.710500    
 H    4.779000      -2.451900      -2.746700    


%chk=000078239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078239

0 1
O -0.984116 1.817709 1.211204
O -0.276675 -1.845446 0.523565
O 6.252323 -1.022022 0.690163
N -0.544220 1.420012 -1.930568
N 0.262085 2.408174 -2.520424
C 1.329848 1.763626 -0.470184
C 0.115258 0.803652 -0.724965
C 2.650055 1.050222 -0.206069
C -0.948804 0.851281 0.399563
C 1.296160 2.625825 -1.730336
C -2.014314 -0.210777 0.382365
C -3.415896 0.147602 0.359193
C 3.097586 0.836801 1.125407
C 3.444535 0.548665 -1.264516
C -1.651501 -1.576193 0.419888
C -4.415730 -0.904187 0.343336
C -2.639900 -2.609319 0.409728
C 4.292658 0.144815 1.391870
C 4.651878 -0.144571 -1.018636
C -3.867846 1.511102 0.320215
C -3.991135 -2.269704 0.368931
C 5.075640 -0.348597 0.317972
C -5.808058 -0.562882 0.299877
C -5.231110 1.810695 0.276864
C -6.214223 0.770898 0.269858
C 0.168361 -3.238464 0.633486
C 7.113131 -1.518669 -0.384678
H 1.070251 2.386680 0.412183
H 0.433518 -0.235760 -0.911610
H 2.016447 3.408462 -1.973707
H -1.079409 0.849872 -2.587222
H 2.497948 1.217497 1.961028
H 3.119568 0.709193 -2.300049
H -2.342480 -3.660927 0.445780
H -3.132370 2.318513 0.334465
H 4.643108 -0.019982 2.415398
H 5.245262 -0.510756 -1.862136
H -4.750873 -3.060232 0.363051
H -6.548374 -1.371864 0.288497
H -5.553821 2.857243 0.248836
H -7.278571 1.027199 0.237343
H 1.263102 -3.174813 0.715221
H -0.106826 -3.825244 -0.263872
H -0.246576 -3.718286 1.539878
H 7.967000 -1.989233 0.124607
H 7.472177 -0.692082 -1.028600
H 6.589929 -2.270930 -1.007505


