%chk=000039278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039278

0 1
 O   -2.134700     -0.1351000       1.918400    
 O  -0.4663000      -2.142300      0.5600000    
 N    4.018100     -0.7475000      1.0900000E-02
 N   0.3588000     -0.1048000     -0.2986000    
 C   -1.863700     -0.1162000      0.5308000    
 C    2.688900     -0.2990000      0.4250000    
 C    4.484800      2.8500000E-02  -1.146600    
 C    4.964900     -0.6522000       1.130900    
 C    1.684300     -0.5152000     -0.6972000    
 C    5.853100     -0.4608000      -1.623300    
 C    6.349000      -1.163900      0.7286000    
 C    6.878500     -0.4261000     -0.4957000    
 C   -1.450900       1.245800      3.9400000E-02
 C  -0.1413000       1.196500     -0.4417000    
 C  -0.5925000     -0.9582000      0.2812000    
 C   -3.027400     -0.6887000     -0.2026000    
 C   -2.165800       2.432200      2.5400000E-02
 C   0.4891000       2.315800     -0.9573000    
 C   -1.544800       3.571900     -0.4917000    
 C   -2.947600     -0.9079000      -1.578700    
 C   -4.199500      -1.006600      0.4852000    
 C  -0.2287000       3.513500     -0.9800000    
 C   -1.055000      0.4017000       2.675700    
 C   -4.037300      -1.443500      -2.265300    
 C   -5.289100      -1.542400     -0.2013000    
 C   -1.417100      0.3649000       4.145100    
 C   -5.207900      -1.760700      -1.576700    
 H    2.361600     -0.8735000       1.301500    
 H    2.703500      0.7560000      0.7292000    
 H    1.912800      1.9300001E-02  -1.621100    
 H    1.643900      -1.583300     -0.9463000    
 H    4.536300       1.099100     -0.9084000    
 H    3.830000     -8.6400002E-02  -2.013600    
 H    4.608800      -1.259800       1.971700    
 H    5.045000      0.3832000       1.487800    
 H    5.765300      -1.486000      -2.005400    
 H    6.200400      0.1617000      -2.455900    
 H    7.046700      -1.040800       1.564600    
 H    6.294900      -2.238500      0.5127000    
 H    7.819800     -0.8765000     -0.8289000    
 H    7.095100      0.6158000     -0.2300000    
 H   -3.181200       2.482000      0.4031000    
 H    1.506800       2.287700      -1.329200    
 H   -2.084100       4.515100     -0.5160000    
 H   -2.048100     -0.6693000      -2.139800    
 H   -4.310800     -0.8479000       1.553700    
 H   0.2358000       4.412600      -1.376300    
 H  -0.1391000     -0.1841000       2.549100    
 H  -0.8556000       1.447800       2.424600    
 H   -3.974500      -1.613300      -3.336100    
 H   -6.201600      -1.788300      0.3341000    
 H   -1.622400     -0.6619000       4.465500    
 H   -2.327100      0.9445000       4.332500    
 H  -0.6080000      0.7704000       4.759300    
 H   -6.056500      -2.177300      -2.111300    


%chk=000039278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039278

0 1
O -2.309055 0.152631 1.975865
O -0.450193 -2.046605 0.853818
N 4.101418 -0.645642 -0.064653
N 0.344840 -0.136362 -0.290758
C -1.906321 0.026510 0.564194
C 2.752644 -0.271273 0.411516
C 4.699522 0.379305 -0.957172
C 5.032660 -1.031215 1.026862
C 1.673749 -0.658823 -0.634237
C 6.009077 -0.130421 -1.592489
C 6.349981 -1.590474 0.451783
C 7.011554 -0.566858 -0.499570
C -1.440650 1.336192 -0.060145
C -0.117888 1.183775 -0.551646
C -0.612819 -0.879977 0.419124
C -3.076162 -0.656650 -0.151754
C -2.103859 2.563563 -0.187543
C 0.561129 2.238419 -1.189965
C -1.435264 3.644016 -0.822595
C -3.427010 -0.330382 -1.484469
C -3.779692 -1.687423 0.520739
C -0.121250 3.475137 -1.319930
C -1.246151 0.623649 2.891102
C -4.478056 -1.016852 -2.133534
C -4.832805 -2.366872 -0.127615
C -1.886026 0.750326 4.272787
C -5.186203 -2.035445 -1.456883
H 2.535079 -0.818645 1.346577
H 2.674117 0.819745 0.645779
H 1.955191 -0.291874 -1.637885
H 1.600728 -1.757874 -0.681113
H 4.908859 1.326308 -0.389912
H 3.972085 0.630986 -1.752207
H 4.535800 -1.797147 1.650379
H 5.267491 -0.157180 1.691403
H 5.774682 -0.992111 -2.246700
H 6.444840 0.665534 -2.226810
H 7.032951 -1.850574 1.283206
H 6.125906 -2.521345 -0.104037
H 7.921599 -0.996628 -0.958972
H 7.332355 0.322642 0.082092
H -3.122584 2.679975 0.197459
H 1.580615 2.122117 -1.571380
H -1.938330 4.610557 -0.930389
H -2.887050 0.460957 -2.015473
H -3.497462 -1.937739 1.546415
H 0.383297 4.314526 -1.811675
H -0.416510 -0.113574 2.904745
H -0.852961 1.600540 2.540368
H -4.743476 -0.754510 -3.163943
H -5.375100 -3.158215 0.402147
H -2.288570 -0.222678 4.602952
H -2.713923 1.479903 4.252971
H -1.136526 1.088562 5.011695
H -6.002675 -2.566505 -1.959524


