%chk=000027122.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027122

0 1
 O    4.844300      0.7459000       1.241400    
 O   -5.958200     -8.2800001E-02  0.1422000    
 N   0.4236000     -0.8712000      6.3999998E-03
 C    2.498200      0.3563000      0.6099000    
 C    1.856400     -0.7373000     -0.2761000    
 C    4.001400      0.2001000      0.2352000    
 C    1.832700       1.699000      0.2663000    
 C    2.777400      -1.940300     -3.7799999E-02
 C  -0.2904000      0.3843000     -0.3819000    
 C    4.183800      -1.336500      0.1485000    
 C   0.3032000       1.600000      0.3838000    
 C    2.305100      9.0200000E-02   2.134400    
 C  -0.1756000      -2.025900     -0.6677000    
 C   -1.807400      0.2705000     -0.2134000    
 C   -1.581500      -2.251000     -0.1152000    
 C   -2.414400     -0.9974000     -0.1184000    
 C    4.354600      0.8240000      -1.055100    
 C   -2.637700       1.404000     -0.2401000    
 C   -3.807200      -1.106000      1.6700000E-02
 C   -4.024000       1.286100     -0.1176000    
 C    4.641900       1.330900      -2.104700    
 C   -4.608400      3.2299999E-02  1.8300001E-02
 C   -6.717900       1.125100      0.1249000    
 H    1.967100     -0.4687000      -1.338600    
 H    2.059800       2.000100     -0.7626000    
 H    2.206800       2.500000      0.9148000    
 H    2.756400      -2.643300     -0.8774000    
 H    2.489200      -2.496400      0.8621000    
 H  -0.1263000      0.5581000      -1.456400    
 H    4.641400      -1.738700       1.060400    
 H    4.835900      -1.630700     -0.6828000    
 H   1.0500000E-02   1.558200       1.440500    
 H  -0.1080000       2.537800     -7.0000002E-03
 H    2.680100      0.9342000       2.724800    
 H    1.255000     -5.2299999E-02   2.406500    
 H    2.840200     -0.8016000       2.475800    
 H   0.3954000      -2.942000     -0.4801000    
 H  -0.2026000      -1.877400      -1.755300    
 H   -1.518900      -2.618400      0.9173000    
 H   -2.073500      -3.026000     -0.7152000    
 H    4.623600       1.688100       1.339600    
 H   -2.222600       2.399600     -0.3657000    
 H   -4.267900      -2.086600      0.1146000    
 H   -4.585200       2.214300     -0.1407000    
 H    4.895900       1.780700      -3.035900    
 H   -6.466200       1.770800      0.9732000    
 H   -7.770900      0.8464000      0.2363000    
 H   -6.624300       1.645300     -0.8345000    


%chk=000027122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027122

0 1
O 5.003833 0.641094 1.219049
O -6.029824 -0.096439 0.090392
N 0.422121 -0.864377 0.017277
C 2.522473 0.358351 0.626995
C 1.863250 -0.726393 -0.283181
C 4.033971 0.194733 0.190337
C 1.841167 1.711212 0.328740
C 2.766732 -1.966379 -0.084938
C -0.279026 0.410375 -0.339019
C 4.201356 -1.363010 0.066570
C 0.306305 1.579939 0.503175
C 2.386429 -0.001097 2.129509
C -0.230081 -2.044505 -0.596823
C -1.801957 0.285752 -0.201217
C -1.604938 -2.247081 0.060391
C -2.437740 -0.977024 -0.018010
C 4.340426 0.881289 -1.085107
C -2.620734 1.434559 -0.311222
C -3.843782 -1.051282 0.073768
C -4.028100 1.369986 -0.219911
C 4.646929 1.467387 -2.126436
C -4.642746 0.110595 -0.017968
C -6.893424 1.080990 -0.007260
H 1.992670 -0.381968 -1.346349
H 2.063968 2.017430 -0.713021
H 2.224338 2.510309 0.994519
H 2.708790 -2.673686 -0.930001
H 2.464916 -2.505999 0.831550
H -0.057410 0.648234 -1.419238
H 4.701952 -1.713959 0.984850
H 4.852322 -1.619396 -0.784788
H 0.042124 1.415138 1.563643
H -0.169618 2.527391 0.191669
H 2.606341 0.877750 2.761378
H 1.358378 -0.343358 2.333679
H 3.086762 -0.795991 2.433314
H 0.402264 -2.931015 -0.420950
H -0.348350 -1.928139 -1.705063
H -1.445609 -2.524271 1.120852
H -2.142941 -3.085035 -0.422744
H 5.020676 1.633075 1.227991
H -2.160126 2.414672 -0.478787
H -4.342655 -2.017011 0.211134
H -4.618768 2.286523 -0.309389
H 4.912105 1.967641 -3.039583
H -6.676580 1.809201 0.798930
H -7.918024 0.697026 0.106637
H -6.789364 1.578561 -0.991644


