%chk=000058782.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058782

0 1
 O  -0.8449000      0.5386000     -2.5300000E-02
 O    1.118300      0.6982000       1.407700    
 O   0.2423000     -0.2209000      -1.910200    
 N   -4.272400     -0.2003000      0.3394000    
 C   -2.344000     -0.9756000      -1.218500    
 C   -2.089800      0.4560000     -0.7053000    
 C   -3.299400      0.9139000      0.1528000    
 C   -2.482200      -1.909500     -4.4000000E-03
 C   -3.687000     -0.9786000      -1.963200    
 C   -3.598800      -1.387800      0.9119000    
 C   -4.809100     -0.5773000     -0.9909000    
 C   -2.937200       1.583400       1.480900    
 C    2.357500       1.450300     -0.4584000    
 C    1.527300      0.3049000      9.4099998E-02
 C    3.550100       1.808400      0.4227000    
 C    1.594100       2.769400     -0.5242000    
 C   0.2593000      0.1670000     -0.7483000    
 C    3.950200       3.202500     -4.8900001E-02
 C    2.688000       3.825600     -0.6476000    
 C   -4.179200       1.964700       2.260600    
 C    2.237500      -1.034900      0.2354000    
 C    3.186300      -1.387800     -0.7017000    
 C    1.910400      -1.853600       1.296400    
 C    3.836900      -2.614900     -0.5723000    
 C    2.561200      -3.080500       1.425800    
 C    3.524500      -3.461100      0.4915000    
 H   -1.585300      -1.378800      -1.888000    
 H   -2.031600       1.134900      -1.568300    
 H   -3.826300       1.686200     -0.4281000    
 H   -1.538100      -1.969000      0.5489000    
 H   -2.722200      -2.925600     -0.3409000    
 H   -3.891500      -1.975300      -2.372200    
 H   -3.651400     -0.2809000      -2.808200    
 H   -4.337800      -2.181200       1.082400    
 H   -3.195200      -1.160000       1.905000    
 H   -5.388000      0.2551000      -1.410000    
 H   -5.524500      -1.402200     -0.8811000    
 H   -2.350900       2.488300       1.279500    
 H   -2.310100      0.9336000       2.101900    
 H    2.709400       1.233400      -1.475800    
 H    4.381600       1.104200      0.3229000    
 H    3.281600       1.856000       1.484500    
 H    1.019900       2.982300      0.3829000    
 H   0.9026000       2.815600      -1.371800    
 H    4.350500       3.803300      0.7739000    
 H    4.730000       3.136000     -0.8165000    
 H    2.861500       4.075600      -1.700600    
 H    2.408800       4.751000     -0.1335000    
 H   -3.897600       2.542700       3.147300    
 H   -4.732500       1.087600       2.610200    
 H   -4.852900       2.585200       1.660600    
 H   0.4025000       1.351200       1.345400    
 H    3.438900     -0.7641000      -1.551200    
 H    1.151800      -1.595200       2.028400    
 H    4.583500      -2.913800      -1.302300    
 H    2.314500      -3.742000       2.251200    
 H    4.029500      -4.417400      0.5912000    


%chk=000058782-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058782

0 1
O -0.933570 0.324855 -0.067287
O 1.005611 0.832537 1.562315
O 0.339557 0.493164 -2.016501
N -4.343088 -0.332873 0.331962
C -2.474400 -1.241923 -1.233565
C -2.204979 0.238151 -0.867097
C -3.409567 0.789029 -0.018682
C -2.545703 -2.097411 0.060057
C -3.850303 -1.301715 -1.955994
C -3.616464 -1.451647 1.011175
C -4.957308 -0.853136 -0.929412
C -3.011587 1.640944 1.208338
C 2.457529 1.605274 -0.248107
C 1.464134 0.494910 0.211473
C 3.679686 1.773125 0.689951
C 1.848806 3.030052 -0.285063
C 0.265965 0.446688 -0.769223
C 4.268409 3.161348 0.303970
C 3.085626 3.973007 -0.333758
C -4.232403 2.327281 1.854117
C 2.143364 -0.899915 0.199987
C 2.547341 -1.504756 -1.018191
C 2.402052 -1.563540 1.422611
C 3.198231 -2.758094 -1.008339
C 3.053893 -2.817743 1.429558
C 3.454048 -3.420489 0.215199
H -1.673679 -1.607215 -1.899571
H -2.035625 0.839101 -1.779454
H -3.991607 1.451080 -0.691831
H -1.554940 -2.142331 0.544625
H -2.824759 -3.132254 -0.212970
H -4.028338 -2.333539 -2.311425
H -3.843897 -0.647919 -2.849784
H -4.369522 -2.194759 1.328765
H -3.146985 -1.054774 1.927391
H -5.598791 -0.060830 -1.355743
H -5.613147 -1.699923 -0.657954
H -2.271385 2.397825 0.885099
H -2.496871 1.010806 1.958506
H 2.802784 1.329579 -1.264234
H 4.414195 0.955608 0.585701
H 3.323780 1.778278 1.736468
H 1.275539 3.189231 0.647187
H 1.169264 3.182275 -1.143146
H 4.694310 3.674987 1.184469
H 5.089390 3.043512 -0.427508
H 3.325190 4.240532 -1.379625
H 2.894021 4.918615 0.204485
H -3.940746 2.884367 2.762955
H -4.992786 1.575236 2.125615
H -4.702366 3.044022 1.153781
H 0.039680 0.603878 1.614256
H 2.341347 -1.004538 -1.971487
H 2.096715 -1.079064 2.354640
H 3.503511 -3.218057 -1.955127
H 3.252026 -3.321120 2.382921
H 3.959413 -4.392930 0.221199


