%chk=000043333.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043333

0 1
 O   0.6380000      -1.704000     -0.8612000    
 O   -2.821300       1.463800     -0.3304000    
 O  -0.9295000      -3.258300     -0.2633000    
 N    3.378500      -1.136800     -0.4230000    
 N   -1.436100     -0.9771000     -0.4031000    
 C    4.526900     -0.3732000     -0.9135000    
 C    3.599700      -1.797600      0.8678000    
 C    4.447400       1.081600     -0.4424000    
 C    4.322800     -0.9945000       1.953300    
 C    4.756800       1.322500       1.032100    
 C    3.944400      0.4817000       2.013900    
 C    2.928400      -2.117500      -1.412700    
 C    1.605700      -2.737300     -0.9912000    
 C  -0.5704000       3.297500     -0.2124000    
 C   -2.005800       3.666200      0.1560000    
 C  -0.6249000      -2.092300     -0.4830000    
 C   0.2091000       4.517900     -0.7015000    
 C   -2.776900       2.464700      0.6840000    
 C   -2.803700     -0.9190000     -5.0700001E-02
 C   -3.462800      0.3005000     -2.3900000E-02
 C    1.648500       4.161600      -1.037300    
 C   -3.462200      -2.098400      0.2629000    
 C   -4.812700      0.3418000      0.3249000    
 C   -4.812100      -2.057000      0.6119000    
 C   -5.487400     -0.8369000      0.6428000    
 H    4.513400     -0.3327000      -2.010800    
 H    5.483400     -0.8374000     -0.6438000    
 H    4.147700      -2.740600      0.7385000    
 H    2.624800      -2.050400       1.300800    
 H    5.153200       1.676300      -1.036300    
 H    3.451600       1.483300     -0.6712000    
 H    4.087500      -1.455600       2.921300    
 H    5.408000      -1.096800       1.828500    
 H    5.827000       1.154400       1.206400    
 H    4.576700       2.382700       1.249600    
 H    2.869000      0.6231000       1.855900    
 H    4.164700      0.8487000       3.024100    
 H    3.680500      -2.898100      -1.580400    
 H    2.759500      -1.607900      -2.370200    
 H    1.278800      -3.418500      -1.787000    
 H    1.678500      -3.326800     -7.1400002E-02
 H  -6.6299997E-02   2.867800      0.6620000    
 H  -0.5652000       2.529900     -0.9956000    
 H   -2.007200       4.457700      0.9142000    
 H   -2.511000       4.058300     -0.7351000    
 H   0.2038000       5.297600      6.8999998E-02
 H  -0.2756000       4.936900      -1.591000    
 H   -3.788000       2.791200      0.9506000    
 H   -2.289400       2.061700       1.579900    
 H   -1.000200     -8.4700003E-02 -0.6234000    
 H    2.172200       3.776500     -0.1565000    
 H    1.691800       3.400700      -1.823200    
 H    2.185800       5.047000      -1.391200    
 H   -3.013200      -3.080500      0.2624000    
 H   -5.362100       1.278900      0.3372000    
 H   -5.339200      -2.974200      0.8585000    
 H   -6.539600     -0.8055000      0.9103000    


%chk=000043333-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043333

0 1
O 0.798454 -1.568668 -2.145907
O -2.127653 1.291361 -0.395845
O 0.303354 -3.010439 -0.338496
N 3.233035 -1.134111 -0.495646
N -0.808707 -0.950453 -0.688449
C 3.710301 0.204995 -0.078545
C 3.595111 -2.288922 0.355240
C 2.697881 0.928782 0.845025
C 3.595726 -1.994263 1.873677
C 2.607027 0.363269 2.281263
C 2.385817 -1.167557 2.381839
C 3.254416 -1.428197 -1.934367
C 2.063904 -2.291412 -2.399846
C -0.527116 3.819479 -0.735519
C -1.985243 3.573766 -1.184428
C 0.113307 -1.938600 -0.969890
C 0.265888 4.713033 -1.715241
C -2.750456 2.622193 -0.260589
C -1.782637 -0.945926 0.338150
C -2.517829 0.270733 0.493112
C 1.716939 4.961748 -1.249829
C -2.066126 -2.039326 1.188220
C -3.530100 0.381233 1.465875
C -3.078605 -1.921031 2.169317
C -3.810384 -0.722926 2.307749
H 3.848789 0.819310 -0.989125
H 4.707995 0.157900 0.417544
H 4.601337 -2.698554 0.073804
H 2.853048 -3.088214 0.164614
H 2.967742 2.005383 0.902822
H 1.706418 0.862571 0.354891
H 3.619029 -2.976746 2.384808
H 4.531041 -1.475340 2.166480
H 3.541175 0.614070 2.828542
H 1.785239 0.884457 2.812871
H 1.473651 -1.464281 1.829321
H 2.207873 -1.416282 3.447296
H 4.189130 -1.960263 -2.259244
H 3.214679 -0.474555 -2.491151
H 2.104394 -2.444138 -3.491817
H 2.023436 -3.268414 -1.887541
H -0.527384 4.289080 0.270653
H -0.010473 2.845810 -0.625867
H -2.535816 4.536124 -1.217050
H -2.001328 3.162020 -2.212697
H -0.257342 5.683885 -1.837007
H 0.273969 4.235956 -2.716574
H -3.820692 2.549108 -0.542259
H -2.677576 2.953634 0.796132
H -0.769578 -0.106095 -1.266505
H 1.736609 5.477205 -0.271012
H 2.263323 4.006079 -1.134712
H 2.273518 5.586346 -1.972425
H -1.488573 -2.959396 1.076464
H -4.100200 1.308384 1.575350
H -3.291711 -2.773036 2.823399
H -4.596725 -0.637867 3.065224


