%chk=000081153.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081153

0 1
 O    2.985400       1.640400      -1.277800    
 O    5.164700      0.7273000      0.7049000    
 O   -2.795700      -2.536800      0.6138000    
 O   -2.314300       2.653900     -0.5699000    
 N    3.202400     -0.6552000     -0.8293000    
 N  -0.2648000      -3.011000      0.2747000    
 N   0.2461000       2.484700     -0.9763000    
 N    2.641600      -2.901600     -0.2562000    
 C    1.016900      -1.075600     -0.3593000    
 C    1.139200      0.2715000     -0.6653000    
 C   -1.318600     -0.7902000     -1.1800000E-02
 C   -1.192000      0.5799000     -0.3237000    
 C  -0.1993000      -1.638000     -2.7899999E-02
 C   5.6100000E-02   1.127100     -0.6573000    
 C    2.343400      -1.667000     -0.4659000    
 C    2.544900      0.5483000     -0.9689000    
 C    4.628600     -0.8337000      -1.040200    
 C   -2.639500      -1.353700      0.3380000    
 C   -2.378700       1.460300     -0.3034000    
 C   -3.819700     -0.4664000      0.3573000    
 C   -3.694100      0.8890000      4.8200000E-02
 C    5.378800     -0.6067000      0.2612000    
 C   -5.074100     -0.9934000      0.6887000    
 C   -4.822800       1.717700      7.0600003E-02
 C   -6.196000     -0.1643000      0.7098000    
 C   -6.070600       1.188600      0.4015000    
 C    5.848900      0.9873000       1.922700    
 C    5.583100       2.417500       2.341900    
 H    4.951100     -9.2200004E-02  -1.780200    
 H    4.833900      -1.831300      -1.437700    
 H    6.450100     -0.7677000      9.4700001E-02
 H    5.032700      -1.308500       1.029400    
 H   -1.141900      -3.447800      0.5192000    
 H   0.5728000      -3.577000      0.2471000    
 H  -0.5301000       3.130700     -0.9793000    
 H    1.168200       2.827100      -1.211100    
 H   -5.201600      -2.044500      0.9335000    
 H   -4.754800       2.776200     -0.1655000    
 H    3.642200      -3.066600     -0.3830000    
 H   -7.168400     -0.5742000      0.9671000    
 H   -6.945400       1.832200      0.4185000    
 H    5.492900      0.3033000       2.701200    
 H    6.925300      0.8380000       1.782700    
 H    6.095400       2.652200       3.279100    
 H    5.922600       3.115100       1.569100    
 H    4.509300       2.587100       2.473600    


%chk=000081153-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081153

0 1
O 2.976264 1.721679 -1.772009
O 5.243260 0.651502 0.800442
O -2.692279 -2.514443 0.930962
O -2.461432 2.692624 -0.921018
N 3.257867 -0.529582 -1.007207
N -0.132031 -2.855517 0.495162
N 0.096784 2.483138 -1.393305
N 2.688050 -2.790855 -0.134990
C 1.062877 -0.958649 -0.399382
C 1.119616 0.355169 -0.865974
C -1.333416 -0.728202 0.024813
C -1.273674 0.634888 -0.458972
C -0.146467 -1.562603 0.058636
C -0.023333 1.205905 -0.922627
C 2.413461 -1.550526 -0.482067
C 2.512355 0.658404 -1.270275
C 4.709435 -0.619801 -1.180127
C -2.608601 -1.299109 0.494513
C -2.485868 1.471903 -0.490573
C -3.825967 -0.448363 0.463441
C -3.766724 0.891414 -0.013535
C 5.481566 -0.630294 0.150382
C -5.061290 -0.980298 0.914322
C -4.943129 1.683844 -0.034003
C -6.224130 -0.187925 0.891139
C -6.164839 1.149072 0.415263
C 5.888302 0.753438 2.121063
C 5.533586 2.123001 2.696885
H 5.007496 0.270964 -1.760818
H 4.965612 -1.522543 -1.768664
H 6.564667 -0.774033 -0.066573
H 5.149650 -1.466771 0.806903
H -1.028078 -3.247616 0.818542
H 0.769969 -3.351507 0.468419
H -0.763155 3.052848 -1.407868
H 1.017531 2.807679 -1.701351
H -5.075771 -2.013409 1.274386
H -4.866148 2.710036 -0.405686
H 3.678299 -3.075048 -0.261004
H -7.176437 -0.601838 1.239956
H -7.071429 1.763621 0.398494
H 5.521927 -0.065654 2.779887
H 6.989775 0.638693 2.008814
H 5.998391 2.255791 3.690806
H 5.891556 2.925852 2.030103
H 4.440102 2.225120 2.803199


