%chk=000023082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023082

0 1
 O   8.8000000E-02  -1.162200      0.3192000    
 O   -2.461700      6.7900002E-02   2.267500    
 O   -1.092700      -2.105700       2.052500    
 N    2.766400     -0.6105000     -0.4088000    
 C    3.683800     -0.2356000      -1.494900    
 C    3.430700     -0.4491000      0.8932000    
 C    4.976700      -1.073400      -1.499400    
 C    3.938900       1.281400      -1.397400    
 C    4.709600      -1.298600       1.019600    
 C    3.672400       1.056400       1.118900    
 C    5.682200      -1.154700     -0.1482000    
 C    4.407700       1.756600     -2.3000000E-02
 C    2.163900      -1.926800     -0.5903000    
 C    1.082000      -2.170000      0.4498000    
 C  -0.9688000      -1.240000       1.194200    
 C   -1.983400     -0.1267000      0.9210000    
 C   -3.137200     -0.5856000      2.6600000E-02
 C   -1.360600       1.166000      0.3883000    
 C   -4.225200      0.2371000     -0.1566000    
 C   -3.033900      -1.824500     -0.5665000    
 C   -1.388000       1.400000     -0.9672000    
 C  -0.7980000       2.044400       1.285400    
 C   -5.265500     -0.2013000     -0.9760000    
 C   -4.329200       1.578800      0.4914000    
 C   -4.074200      -2.262800      -1.385800    
 C  -0.8209000       2.578200      -1.452900    
 C  -0.2309000       3.222600      0.7995000    
 C   -5.189900      -1.451300      -1.590500    
 C  -0.2423000       3.489400     -0.5695000    
 H    3.184200     -0.3951000      -2.460000    
 H    2.771800     -0.7320000       1.719300    
 H    5.674800     -0.6840000      -2.250400    
 H    4.733900      -2.094600      -1.820600    
 H    4.660000       1.596700      -2.160900    
 H    3.000000       1.802300      -1.631800    
 H    4.426500      -2.355700       1.103400    
 H    5.230400      -1.056600       1.954200    
 H    4.214900       1.219400       2.057900    
 H    2.696400       1.546100       1.242000    
 H    6.313200     -0.2738000     -2.6000000E-03
 H    6.377900      -2.002900     -0.1503000    
 H    4.259800       2.840500      5.8300000E-02
 H    5.486000       1.608700      7.8000002E-02
 H    1.689200      -1.959000      -1.579400    
 H    2.895200      -2.741000     -0.5556000    
 H    1.460200      -2.223800       1.474900    
 H   0.6158000      -3.139300      0.2314000    
 H   -3.123800     -0.6177000       2.462700    
 H   -2.186500      -2.489600     -0.4511000    
 H   -1.790800      0.7023000      -1.693100    
 H  -0.7661000       1.850700       2.352600    
 H   -6.140600      0.4198000      -1.148200    
 H   -5.379200       1.899700      0.5079000    
 H   -3.794100       2.345300     -7.4199997E-02
 H   -4.027500       1.596600       1.538900    
 H   -4.014800      -3.234700      -1.867000    
 H  -0.8207000       2.781800      -2.519700    
 H   0.2239000       3.930100       1.486600    
 H   -5.999100      -1.792200      -2.229700    
 H   0.2028000       4.404900     -0.9481000    


%chk=000023082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023082

0 1
O -0.085878 -1.466089 -0.689799
O -1.575969 0.710705 1.824066
O -0.000986 -1.413612 1.639305
N 2.759694 -0.630178 -0.176990
C 3.486601 0.561862 -0.710421
C 3.476557 -1.185548 1.012874
C 4.926272 0.182529 -1.180107
C 3.406893 1.687396 0.354435
C 4.924109 -1.643414 0.644129
C 3.380876 -0.139972 2.154617
C 5.756114 -0.560554 -0.097664
C 3.907706 1.263204 1.759025
C 2.333383 -1.612083 -1.185265
C 1.082624 -2.394864 -0.755333
C -0.461355 -1.000903 0.544053
C -1.583295 0.086661 0.488875
C -2.970316 -0.556010 0.224187
C -1.209383 1.163446 -0.548592
C -4.150004 0.257645 0.267659
C -3.098670 -1.947260 -0.011932
C -1.507874 0.972075 -1.919500
C -0.537698 2.339254 -0.141714
C -5.404754 -0.369645 0.063579
C -4.116766 1.753873 0.527664
C -4.359043 -2.551866 -0.212086
C -1.140627 1.947740 -2.871554
C -0.170275 3.316000 -1.094860
C -5.522364 -1.756432 -0.176922
C -0.468689 3.124537 -2.463459
H 2.922961 0.916671 -1.596404
H 2.915227 -2.076945 1.355298
H 5.464956 1.090354 -1.516078
H 4.828766 -0.472880 -2.070789
H 3.966597 2.575248 -0.000879
H 2.341012 1.975094 0.425882
H 4.848466 -2.540822 -0.004488
H 5.453646 -1.969689 1.560528
H 3.919364 -0.514225 3.047556
H 2.309836 -0.064662 2.421036
H 6.159938 0.166440 0.628688
H 6.636227 -1.037129 -0.572951
H 3.567095 2.005312 2.507276
H 5.011803 1.281263 1.794557
H 2.093153 -1.068424 -2.118195
H 3.110468 -2.374509 -1.449642
H 1.204862 -2.878699 0.229017
H 0.805447 -3.139948 -1.519645
H -1.204366 0.028018 2.450769
H -2.206595 -2.580220 -0.050040
H -2.029392 0.063369 -2.238110
H -0.335148 2.484833 0.923062
H -6.309111 0.249967 0.098702
H -5.132883 2.133698 0.731663
H -3.717783 2.304881 -0.344244
H -3.464555 1.990381 1.383713
H -4.426859 -3.630587 -0.391232
H -1.381936 1.792908 -3.929459
H 0.343240 4.227523 -0.767496
H -6.509795 -2.206877 -0.328698
H -0.187927 3.884060 -3.202168


