%chk=000127214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127214

0 1
 O   -1.127800      -1.355900      -1.381400    
 O   -5.472500       1.454300      -1.384100    
 O   -6.995000     -0.1094000      0.3363000    
 N   0.7923000      0.1208000      0.1777000    
 N    4.711100      -2.028400     -0.6221000    
 C    3.034300       1.054700      0.3506000    
 C    5.348300     -0.7541000     -0.2604000    
 C    1.537400       1.331700      0.4787000    
 C    3.467500     -4.3900002E-02   1.329700    
 C    3.394000      0.6805000      -1.092900    
 C    4.954200     -0.3777000       1.182000    
 C    4.880900      0.3451000      -1.235700    
 C    6.870400     -0.9296000     -0.3591000    
 C    1.127100       2.432700     -0.5088000    
 C    1.207200       1.775100       1.909700    
 C  -0.6437000      0.3499000      0.2802000    
 C   -1.425000     -0.9268000     -5.3300001E-02
 C   -2.918200     -0.7053000      4.8799999E-02
 C   -3.509100      0.2810000     -0.7218000    
 C   -3.660900      -1.493100      0.9111000    
 C   -4.885600      0.4858000     -0.6273000    
 C   -5.037300      -1.288500       1.005800    
 C   -5.649700     -0.2992000      0.2365000    
 H    3.592700       1.967500      0.6056000    
 H    2.910900     -0.9753000       1.189200    
 H    3.306300      0.2692000       2.366800    
 H    3.187400       1.510500      -1.777200    
 H    2.802800     -0.1731000      -1.445000    
 H    5.539500      0.4947000       1.502900    
 H    5.212400      -1.188700       1.875800    
 H    5.085500      5.1300000E-02  -2.273600    
 H    5.462300       1.260100      -1.057900    
 H   0.1684000       2.899000     -0.2528000    
 H    1.860100       3.249300     -0.5043000    
 H    1.047500       2.070800      -1.540700    
 H    1.201400      0.9436000       2.624100    
 H   0.2354000       2.276400       1.987400    
 H    1.944400       2.504800       2.267400    
 H    7.228200      -1.711400      0.3210000    
 H    7.176700      -1.204200      -1.375300    
 H    7.391300     -1.4000000E-03 -9.7400002E-02
 H    1.032500     -0.6296000      0.8216000    
 H    5.038800      -2.768100     -1.9000000E-03
 H    4.991600      -2.301300      -1.563400    
 H  -0.9472000      0.6617000       1.285000    
 H  -0.9491000       1.122100     -0.4296000    
 H   -1.118500      -1.734900      0.6229000    
 H  -0.1621000      -1.451300      -1.446000    
 H   -2.924200      0.8839000      -1.410400    
 H   -3.195600      -2.266300       1.515200    
 H   -5.626900      -1.903200       1.680300    
 H   -4.790900       1.896000      -1.919100    
 H   -7.247500      0.6129000     -0.2649000    


%chk=000127214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127214

0 1
O -0.903708 -0.704282 -1.393528
O -5.692136 0.883119 -2.140987
O -7.131045 0.087203 0.004503
N 0.723029 0.092393 0.543322
N 4.749014 -2.104816 -0.510848
C 3.049908 0.977883 0.408224
C 5.416979 -0.777470 -0.382037
C 1.550026 1.332789 0.746739
C 3.701428 -0.031321 1.395881
C 3.246407 0.465447 -1.044774
C 5.193447 -0.266238 1.067923
C 4.735002 0.208852 -1.368771
C 6.938910 -0.859492 -0.685344
C 1.042772 2.443444 -0.211720
C 1.435517 1.860746 2.208726
C -0.719086 0.117480 0.890226
C -1.455568 -0.892407 -0.055887
C -2.959001 -0.668247 -0.056771
C -3.576234 -0.004949 -1.144819
C -3.750988 -1.084722 1.041651
C -4.958636 0.239205 -1.112451
C -5.141664 -0.830798 1.071529
C -5.752488 -0.163771 -0.006734
H 3.606361 1.937342 0.509073
H 3.189702 -1.012246 1.331290
H 3.617055 0.328463 2.438085
H 2.846408 1.197180 -1.771024
H 2.679386 -0.473885 -1.174938
H 5.757052 0.680380 1.195723
H 5.626207 -0.994020 1.785429
H 4.832686 -0.180701 -2.403674
H 5.294533 1.166032 -1.337740
H 0.057456 2.831862 0.102975
H 1.747254 3.295481 -0.211044
H 0.942448 2.069200 -1.243786
H 1.685617 1.080705 2.949287
H 0.404785 2.201965 2.415954
H 2.113434 2.719744 2.372049
H 7.438363 -1.562041 0.009831
H 7.111308 -1.221760 -1.717228
H 7.433458 0.126055 -0.584695
H 1.194897 -0.726238 0.953488
H 5.154132 -2.814356 0.113502
H 4.721926 -2.445630 -1.480356
H -0.939762 -0.122475 1.951710
H -1.115299 1.125663 0.682502
H -1.240102 -1.927136 0.298873
H 0.043165 -0.403221 -1.186233
H -2.951001 0.280629 -1.998673
H -3.287708 -1.620017 1.879190
H -5.764565 -1.149068 1.912688
H -5.114453 1.109038 -2.908395
H -7.372629 0.547705 -0.842013


