%chk=000115938.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115938

0 1
 O   -1.991700       2.582600      0.8616000    
 O    3.978200       1.050600     -0.6032000    
 N   -4.811800     -0.3878000     -0.1760000    
 C   -4.756900      -1.483700      0.8017000    
 C   -6.190400      8.4299996E-02 -0.3677000    
 C   -5.618200      -2.665700      0.3546000    
 C   -7.098600      -1.046500     -0.8532000    
 C   -7.058500      -2.236900      9.8300003E-02
 C   -3.946900      0.7149000      0.2424000    
 C   -2.480600      0.4111000     -6.4599998E-02
 C   -1.563100       1.555800      0.3397000    
 C  -9.7199999E-02   1.421900      9.1399997E-02
 C    5.978200     -0.1857000     -0.1261000    
 C    6.624500      -1.567500     -5.6100000E-02
 C   0.4068000      0.2638000     -0.5008000    
 C   0.7685000       2.454900      0.4505000    
 C    4.525400     -0.2667000     -0.5728000    
 C    8.069800      -1.481300      0.4335000    
 C    2.642000       1.171700     -0.3742000    
 C    1.776300      0.1387000     -0.7336000    
 C    2.138100       2.329900      0.2178000    
 C    8.706000      -2.858300      0.5370000    
 H   -5.092200      -1.142800       1.790300    
 H   -3.734000      -1.856300      0.9182000    
 H   -6.212000      0.8798000      -1.122600    
 H   -6.590900      0.5063000      0.5635000    
 H   -5.197900      -3.101400     -0.5608000    
 H   -5.597600      -3.449600       1.120100    
 H   -8.127800     -0.6814000     -0.9449000    
 H   -6.782700      -1.367700      -1.853900    
 H   -7.631300      -3.072100     -0.3194000    
 H   -7.533400      -1.962600       1.048200    
 H   -4.208800       1.624600     -0.3154000    
 H   -4.087300      0.9602000       1.303600    
 H   -2.153700     -0.4775000      0.4842000    
 H   -2.369800      0.2390000      -1.141700    
 H    6.028100      0.3066000      0.8532000    
 H    6.536300      0.4606000     -0.8151000    
 H    6.047400      -2.208700      0.6214000    
 H    6.597800      -2.037700      -1.046600    
 H    3.989400     -0.9084000      0.1385000    
 H    4.463400     -0.7025000      -1.576700    
 H  -0.2294000     -0.5621000     -0.8022000    
 H   0.4000000       3.366600      0.9128000    
 H    8.102300     -0.9972000       1.416500    
 H    8.658900     -0.8621000     -0.2529000    
 H    2.124100     -0.7667000      -1.222000    
 H    2.807900       3.137800      0.4995000    
 H    8.159200      -3.491300       1.243200    
 H    8.717500      -3.359100     -0.4364000    
 H    9.739500      -2.773000      0.8873000    


%chk=000115938-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115938

0 1
O -2.115635 2.725211 0.384875
O 4.022597 0.848066 0.233598
N -4.997184 -0.352380 -0.251683
C -5.139041 -1.348735 0.842092
C -6.327543 0.136761 -0.704154
C -5.987257 -2.557442 0.395597
C -7.208566 -1.025250 -1.204541
C -7.374949 -2.096851 -0.103934
C -4.099287 0.773118 0.114355
C -2.618505 0.353259 0.120703
C -1.664685 1.543509 0.266824
C -0.189701 1.289206 0.259405
C 6.174115 -0.244983 0.083804
C 6.968190 -1.564193 -0.057999
C 0.371108 -0.005258 0.103317
C 0.695720 2.397468 0.407390
C 4.662375 -0.475341 0.066491
C 8.497539 -1.338104 -0.057644
C 2.629140 0.916742 0.235873
C 1.766912 -0.201929 0.090363
C 2.083985 2.219819 0.397066
C 9.298705 -2.651733 -0.180166
H -5.614256 -0.880256 1.746650
H -4.133005 -1.692663 1.144911
H -6.165943 0.869539 -1.516700
H -6.865576 0.671494 0.124432
H -5.456243 -3.082589 -0.422053
H -6.089993 -3.266054 1.240200
H -8.193778 -0.630317 -1.519419
H -6.727754 -1.479009 -2.092863
H -7.957554 -2.957746 -0.483363
H -7.946969 -1.666495 0.744464
H -4.226765 1.576315 -0.633213
H -4.367643 1.223353 1.101824
H -2.408299 -0.367821 0.936097
H -2.402361 -0.183481 -0.825019
H 6.447411 0.259966 1.030126
H 6.440135 0.447030 -0.738053
H 6.702837 -2.252372 0.771739
H 6.677549 -2.079316 -0.997631
H 4.349142 -1.142464 0.896366
H 4.336409 -0.923428 -0.895111
H -0.281666 -0.876674 -0.013993
H 0.254839 3.392550 0.526873
H 8.786368 -0.812338 0.874995
H 8.764719 -0.659526 -0.892811
H 2.168799 -1.211474 -0.033281
H 2.772139 3.063105 0.508654
H 9.072269 -3.334847 0.660181
H 9.052557 -3.182420 -1.119374
H 10.387504 -2.461623 -0.176162


