%chk=000155916.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155916

0 1
 O   0.1043000       1.309400      5.9700001E-02
 O    1.564200       2.641300       1.370600    
 O   -4.458700       2.340100     -0.9958000    
 O   -6.016700      0.9725000      0.2315000    
 O    4.404700       1.965400     -0.2003000    
 O    5.754500     -0.4700000     -0.1892000    
 N  -0.5060000      -2.349400     -0.2127000    
 C  -0.7406000     -0.9080000     -0.4491000    
 C   0.2048000     -8.6499996E-02  0.4424000    
 C   -2.180000     -0.4571000     -0.2515000    
 C   -1.177200      -2.820900       1.004500    
 C    1.650200     -0.3981000      0.2710000    
 C   -3.098600      -1.256700      0.4755000    
 C   -2.692900      -2.613400      0.9911000    
 C    2.353000      0.7899000      0.1102000    
 C    1.405700       1.934600      0.1513000    
 C   -2.594500      0.7807000     -0.7748000    
 C  -0.8486000      -3.160900      -1.381200    
 C   -4.420300     -0.8213000      0.6654000    
 C    2.305200      -1.617800      0.2902000    
 C   -3.897900       1.178400     -0.5617000    
 C    3.728700      0.7973000     -4.5100000E-02
 C   -4.785600      0.3996000      0.1393000    
 C    3.692500      -1.626900      0.1295000    
 C    4.400100     -0.4266000     -3.7700001E-02
 C   -5.802000       2.202800     -0.4894000    
 C    5.398200       2.278300      0.7765000    
 C    6.253400     -0.5770000      -1.520400    
 H  -0.4793000     -0.6846000      -1.494800    
 H  -6.4900003E-02 -0.1454000       1.504300    
 H  -0.7517000      -2.301500       1.872400    
 H  -0.9527000      -3.881400       1.174400    
 H   -3.073800      -2.748500       2.010700    
 H   -3.165800      -3.375800      0.3598000    
 H    1.536000       2.607400     -0.7024000    
 H   -1.926400       1.406500      -1.356700    
 H  -0.6424000      -4.219500      -1.188000    
 H  -0.2241000      -2.876500      -2.235600    
 H   -1.897000      -3.063800      -1.681600    
 H   -5.137800      -1.430000       1.206200    
 H    1.806400      -2.561100      0.4661000    
 H    4.225900      -2.574200      0.1484000    
 H    1.203600       3.533600       1.232800    
 H   -6.500900       2.242000      -1.332900    
 H   -6.012100       3.044000      0.1811000    
 H    6.382000       1.951800      0.4285000    
 H    5.170800       1.833700       1.751600    
 H    5.423400       3.365700      0.8940000    
 H    5.935700      0.2806000      -2.121900    
 H    5.912300      -1.508100      -1.983800    
 H    7.345900     -0.5876000      -1.477000    


%chk=000155916-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155916

0 1
O 0.180981 1.185933 0.303656
O 1.857947 2.402728 1.575595
O -4.330595 2.437601 -1.186670
O -6.024168 1.200687 -0.007199
O 4.493452 1.881287 -0.422374
O 5.908254 -0.671413 -0.549915
N -0.628903 -2.498624 -0.001842
C -0.740338 -1.045386 -0.303269
C 0.296420 -0.283796 0.585607
C -2.177082 -0.499375 -0.172957
C -1.374419 -2.873949 1.225821
C 1.756187 -0.585826 0.280272
C -3.183712 -1.235894 0.515660
C -2.894011 -2.611062 1.109634
C 2.452320 0.625030 0.069097
C 1.521650 1.788686 0.285052
C -2.491089 0.753178 -0.782844
C -0.917402 -3.363298 -1.167380
C -4.512506 -0.722234 0.619415
C 2.443584 -1.814784 0.219523
C -3.793164 1.228376 -0.665823
C 3.827220 0.649473 -0.218402
C -4.787598 0.505840 0.024170
C 3.822899 -1.805858 -0.092547
C 4.518946 -0.593774 -0.318285
C -5.754592 2.454512 -0.763566
C 5.161056 2.390889 0.804163
C 6.395692 -0.036127 -1.796687
H -0.404966 -0.896842 -1.347846
H 0.060000 -0.444459 1.656100
H -0.963486 -2.293448 2.072683
H -1.180807 -3.941252 1.440236
H -3.369377 -2.705490 2.105285
H -3.357675 -3.389628 0.469430
H 1.508982 2.558702 -0.507874
H -1.719350 1.325994 -1.300052
H -0.794672 -4.421324 -0.872159
H -0.189800 -3.147865 -1.970220
H -1.941647 -3.238689 -1.590756
H -5.290395 -1.283273 1.145983
H 1.900161 -2.747992 0.386414
H 4.392553 -2.737911 -0.165266
H 1.203178 3.127120 1.753914
H -6.397401 2.475215 -1.660691
H -5.922475 3.318110 -0.096043
H 5.925175 1.670302 1.151310
H 4.402691 2.566967 1.587730
H 5.637648 3.337972 0.507376
H 6.119890 1.031583 -1.828419
H 5.978248 -0.562483 -2.676569
H 7.489497 -0.157132 -1.773072


