%chk=000111210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111210

0 1
 O   -6.277400       2.417800     -0.5991000    
 O    6.323600      -2.420600     -0.6553000    
 O   -7.173000      -2.710300      0.6080000    
 O    7.129900       2.714000      0.5869000    
 N   -3.723300       2.184400     -0.2238000    
 N    3.749200      -2.186900     -0.4639000    
 N  -0.6201000     -0.3341000      0.2272000    
 N   0.5958000      0.3321000      0.3303000    
 C   -5.337200      0.3391000      4.9600001E-02
 C    5.339100     -0.3394000     -8.5400000E-02
 C   -5.582200     -0.9996000      0.3623000    
 C    5.561000       1.001100      0.2373000    
 C   -7.825700      0.7014000     -0.3491000    
 C    7.849700     -0.7021000     -0.3043000    
 C   -8.070600     -0.6372000     -3.6100000E-02
 C    8.071600      0.6382000      1.8700000E-02
 C   -6.450000       1.238600     -0.3179000    
 C    6.475400      -1.239800     -0.3684000    
 C   -4.028800      0.8360000      8.3700001E-02
 C    4.031700     -0.8368000     -0.1421000    
 C   -6.958000      -1.536600      0.3313000    
 C    6.935300       1.538700      0.3016000    
 C   -2.971900     -6.3999998E-03  0.4300000    
 C    2.947400      4.9000001E-03  0.1237000    
 C   -4.518700      -1.841600      0.7088000    
 C    4.475400       1.844200      0.5030000    
 C   -3.216300      -1.342300      0.7416000    
 C    3.174000       1.344400      0.4455000    
 C   -8.889100       1.543400     -0.6958000    
 C    8.935400      -1.545200     -0.5703000    
 C   -9.379400      -1.133900     -6.9300003E-02
 C    9.379200       1.135500      7.6200001E-02
 C   -10.19160       1.044400     -0.7275000    
 C    10.23670      -1.045600     -0.5117000    
 C   -10.43620     -0.2912000     -0.4147000    
 C    10.45820      0.2917000     -0.1889000    
 C   -1.594700      0.4711000      0.4798000    
 C    1.575600     -0.4713000      7.8000002E-02
 H   -4.683600      -2.886400      0.9582000    
 H    4.622000       2.890800      0.7563000    
 H   -2.412600      -2.017900       1.023500    
 H    2.359600       2.031900      0.6590000    
 H   -8.727700       2.588900     -0.9442000    
 H    8.792300      -2.592000     -0.8243000    
 H   -9.596400      -2.171400      0.1701000    
 H    9.578300       2.174300      0.3253000    
 H   -11.01640       1.698200     -0.9964000    
 H    11.07860      -1.700300     -0.7179000    
 H   -11.45120     -0.6771000     -0.4401000    
 H    11.47240      0.6779000     -0.1439000    
 H   -1.406700       1.529500      0.7316000    
 H    1.351100      -1.519900     -0.1665000    
 H   -2.772000       2.494700     -0.3554000    
 H   -4.464500       2.826000     -0.4687000    
 H    4.512600      -2.823300     -0.6474000    
 H    2.816900      -2.544500     -0.5889000    


%chk=000111210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111210

0 1
O -6.520639 2.615682 -0.022213
O 6.521901 -2.616479 -0.037411
O -7.234070 -2.860478 -0.062252
O 7.236625 2.859519 0.004547
N -3.948378 2.300702 -0.019600
N 3.949792 -2.300892 -0.040104
N -0.619784 -0.345060 -0.033473
N 0.621721 0.345451 -0.027332
C -5.493691 0.418638 -0.036303
C 5.495529 -0.419180 -0.023264
C -5.694949 -0.998479 -0.046804
C 5.697078 0.997870 -0.012436
C -8.024662 0.745014 -0.039289
C 8.026393 -0.746156 -0.020279
C -8.229721 -0.664132 -0.049816
C 8.231778 0.662952 -0.009428
C -6.651629 1.329353 -0.031991
C 6.653233 -1.330152 -0.027599
C -4.139670 0.944177 -0.030103
C 4.141365 -0.944415 -0.029777
C -7.068048 -1.597339 -0.053543
C 7.070317 1.596426 -0.005181
C -3.022218 0.015343 -0.035025
C 3.024146 -0.015340 -0.024962
C -4.593488 -1.884089 -0.051129
C 4.595806 1.883745 -0.008254
C -3.284705 -1.378998 -0.045356
C 3.286916 1.378964 -0.014448
C -9.143844 1.614434 -0.035726
C 9.145376 -1.615828 -0.024131
C -9.546583 -1.186820 -0.056738
C 9.548760 1.185334 -0.002604
C -10.450911 1.087977 -0.042669
C 10.452563 -1.089668 -0.017291
C -10.653858 -0.316153 -0.053239
C 10.655835 0.314413 -0.006506
C -1.646649 0.496101 -0.029710
C 1.648533 -0.495865 -0.030476
H -4.794910 -2.958669 -0.059049
H 4.797519 2.958268 -0.000035
H -2.421448 -2.051366 -0.048731
H 2.423791 2.051500 -0.011098
H -8.960171 2.692900 -0.027576
H 8.961458 -2.694250 -0.032407
H -9.670260 -2.274282 -0.064715
H 9.672685 2.272765 0.005676
H -11.312381 1.764316 -0.039917
H 11.313878 -1.766203 -0.020276
H -11.671104 -0.721749 -0.058652
H 11.673176 0.719772 -0.001253
H -1.428534 1.578096 -0.022675
H 1.430209 -1.577823 -0.037266
H -3.017985 2.710095 -0.015174
H -4.807663 2.882665 -0.016931
H 4.808971 -2.883043 -0.042496
H 3.019300 -2.710063 -0.045310


