%chk=000128719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128719

0 1
 O    2.629700     -0.4775000      0.4768000    
 O    5.959900       1.778800     -0.3731000    
 O    3.321000       2.926700     -0.7052000    
 O    5.932200      -1.033900      -1.023900    
 O    4.662700      -3.279200     -7.7799998E-02
 O    3.118000      -2.747900       1.512000    
 N    1.262100       1.414100      0.6617000    
 N   -8.224100     -0.9399000     -0.5366000    
 C    4.779900       1.033000     -0.6788000    
 C    3.575800       1.703400     -1.6100001E-02
 C    4.972400     -0.3985000     -0.1804000    
 C    2.340500      0.8019000     -8.3700001E-02
 C    3.655900      -1.166400     -0.2297000    
 C    3.757400      -2.460200      0.5110000    
 C  -7.0600003E-02   1.081900      0.4930000    
 C  -0.4614000      0.1031000     -0.4412000    
 C   -1.074900       1.714700       1.250900    
 C   -2.783800      0.4090000      0.1500000    
 C   -1.805100     -0.2301000     -0.6111000    
 C   -2.418700       1.381500       1.081000    
 C   -4.177700      6.4199999E-02 -2.6600000E-02
 C   -4.636100     -0.3733000      -1.269300    
 C   -5.063100      0.1683000       1.046100    
 C   -5.979800     -0.7066000      -1.439000    
 C   -6.406900     -0.1649000      0.8763000    
 C   -6.865300     -0.6023000     -0.3664000    
 H    4.675900       1.053300      -1.771200    
 H    3.822800       1.958000       1.022100    
 H    5.380000     -0.3921000      0.8387000    
 H    2.059400      0.6955000      -1.139800    
 H    3.323000      -1.381100      -1.252600    
 H    1.492800       2.067900       1.402000    
 H    6.686000       1.416200     -0.9078000    
 H    3.076000       2.712200      -1.621500    
 H    6.791500     -0.6075000     -0.8682000    
 H   0.2606000     -0.4383000      -1.045500    
 H  -0.8080000       2.480400       1.976200    
 H   -2.039300      -1.016400      -1.323600    
 H   -3.147500       1.927500       1.673600    
 H    4.745400      -4.134600      0.3954000    
 H   -3.990600     -0.4411000      -2.140700    
 H   -4.746200      0.4744000       2.039300    
 H   -6.326700      -1.040200      -2.413800    
 H   -7.086000     -8.6199999E-02   1.721500    
 H   -8.866200     -0.8627000      0.2409000    
 H   -8.558100      -1.255800      -1.437400    


%chk=000128719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128719

0 1
O 2.768411 -0.473646 0.510096
O 5.966710 2.057584 -0.461783
O 3.353911 3.144958 -0.319845
O 6.154232 -0.745951 -1.144895
O 2.822408 -3.242072 0.091631
O 5.126198 -3.036838 0.249980
N 1.320925 1.435230 0.759780
N -8.319755 -1.061004 -0.643106
C 4.810818 1.183502 -0.682083
C 3.663402 1.790785 0.137345
C 5.099042 -0.259133 -0.253083
C 2.396658 0.924210 -0.000911
C 3.783903 -1.068543 -0.369502
C 3.999454 -2.521549 0.031680
C -0.025759 1.055561 0.572767
C -0.374718 -0.147068 -0.099931
C -1.067544 1.886201 1.067064
C -2.785618 0.345218 0.182501
C -1.728699 -0.480170 -0.293487
C -2.415004 1.532419 0.876121
C -4.212409 -0.018119 -0.027158
C -4.629841 -0.762498 -1.166365
C -5.224721 0.362297 0.898403
C -5.976200 -1.110072 -1.376241
C -6.575935 0.024206 0.703688
C -6.979229 -0.721266 -0.441806
H 4.539304 1.184467 -1.761072
H 3.971294 1.802082 1.206274
H 5.432792 -0.279467 0.804917
H 2.116910 0.788596 -1.070847
H 3.441261 -1.055779 -1.432188
H 1.510063 2.248801 1.345196
H 6.747912 1.638563 -0.906324
H 4.220311 3.624276 -0.403597
H 6.432983 -1.638281 -0.804976
H 0.410823 -0.843187 -0.409489
H -0.817706 2.825033 1.577397
H -1.968954 -1.431047 -0.783040
H -3.194696 2.213341 1.235814
H 3.011785 -4.180432 0.368350
H -3.889137 -1.048504 -1.922147
H -4.946058 0.907737 1.807603
H -6.260534 -1.674331 -2.273410
H -7.325742 0.325648 1.446044
H -9.034351 -0.775040 0.019126
H -8.604101 -1.597421 -1.456993


