%chk=000157276.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157276

0 1
 O   -2.844600       1.947600     -0.6282000    
 N   -3.800400     -8.4799998E-02 -7.2800003E-02
 C   -6.018500     -0.8749000     -0.1097000    
 C   -5.082200      -2.064700      5.0999999E-02
 C   -5.099800      0.2022000     -0.6646000    
 C   -3.786200      -1.419900      0.5230000    
 C   -2.770200      0.8345000     -0.1089000    
 C    4.366800      6.4499997E-02 -0.3033000    
 C    5.762400     -0.2194000      0.2608000    
 C    3.435600      0.7372000      0.7102000    
 C   -1.502500      0.4319000      0.5316000    
 C    6.646300     -0.9168000     -0.7738000    
 C    2.090400       1.077100      0.1349000    
 C  -0.3553000      0.9251000      5.0099999E-02
 C    8.023600      -1.228300     -0.2102000    
 C   0.9347000      0.5888000      0.6097000    
 H   -6.404800     -0.5721000      0.8710000    
 H   -6.868300      -1.083500     -0.7652000    
 H   -4.927900      -2.548100     -0.9213000    
 H   -5.458500      -2.815600      0.7511000    
 H   -4.995100      0.1200000      -1.752200    
 H   -5.428000       1.216000     -0.4169000    
 H   -2.899200      -1.978500      0.2109000    
 H   -3.773200      -1.301000       1.611900    
 H    3.912700     -0.8764000     -0.6399000    
 H    4.462300      0.7029000      -1.191100    
 H    5.673200     -0.8497000       1.153900    
 H    6.230300      0.7217000      0.5739000    
 H    3.897300       1.667200       1.064100    
 H    3.328900      8.8000000E-02   1.588100    
 H    6.754500     -0.2809000      -1.660200    
 H    6.173200      -1.850300      -1.099800    
 H   -1.523500     -0.2587000       1.366600    
 H    2.083800       1.766600     -0.7065000    
 H  -0.3553000       1.606300     -0.7973000    
 H    8.639000      -1.725300     -0.9665000    
 H    7.951500      -1.890900      0.6583000    
 H    8.537600     -0.3122000      9.7900003E-02
 H   0.9491000     -9.5899999E-02   1.453900    


%chk=000157276-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157276

0 1
O -2.776503 1.534743 -1.237199
N -3.920139 -0.195658 -0.202518
C -6.263041 -0.532525 0.049461
C -5.529619 -1.864644 0.354412
C -5.217788 0.273098 -0.754394
C -4.069508 -1.421601 0.625496
C -2.753459 0.506438 -0.472805
C 4.515625 0.091208 -0.286205
C 5.919140 -0.203346 0.289068
C 3.495818 0.515356 0.809182
C -1.502668 0.015877 0.170440
C 6.931747 -0.664360 -0.783935
C 2.149791 0.891153 0.241485
C -0.306502 0.638538 -0.073734
C 8.334449 -0.947645 -0.203667
C 0.969020 0.250802 0.510223
H -6.505687 -0.007057 0.991578
H -7.200593 -0.679343 -0.512495
H -5.563037 -2.524956 -0.531736
H -5.962395 -2.413984 1.207590
H -5.271873 0.056617 -1.839902
H -5.301935 1.366677 -0.636802
H -3.342433 -2.200112 0.330920
H -3.915686 -1.194340 1.700420
H 4.129436 -0.804549 -0.812245
H 4.590026 0.894349 -1.048123
H 5.839232 -0.983718 1.074870
H 6.308074 0.706366 0.793100
H 3.923238 1.383055 1.356303
H 3.383394 -0.303871 1.546234
H 7.006210 0.111990 -1.572640
H 6.544300 -1.576459 -1.281804
H -1.546524 -0.842696 0.852307
H 2.136020 1.742389 -0.458661
H -0.327002 1.496148 -0.762607
H 9.039801 -1.274290 -0.989759
H 8.292510 -1.742968 0.564535
H 8.755774 -0.042833 0.273970
H 0.972487 -0.604150 1.204135


