%chk=000047211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047211

0 1
 O   -1.373500       1.099600      0.4001000    
 O    1.035600      -1.121200     -0.7415000    
 O   -2.359400      -1.516400      0.4950000    
 O   -4.032200      -1.410200      -1.083000    
 N   -4.462000      -1.052200       1.147200    
 C   -1.344800      -1.160100     -0.4468000    
 C   -1.489000      0.3192000     -0.7853000    
 C   8.5000005E-03  -1.457400      0.1854000    
 C   -1.459000       2.488800      0.1175000    
 C   -1.264400       3.274700       1.405300    
 C   -2.802600       2.786200     -0.5304000    
 C    2.225300     -0.6947000     -0.2144000    
 C    3.026600      0.2021000     -0.9139000    
 C    2.621300      -1.172400       1.031200    
 C    4.236000      0.6255000     -0.3626000    
 C    2.611900      0.7222000      -2.250500    
 C    3.830700     -0.7491000       1.582400    
 C   -3.647100      -1.334400      7.8800000E-02
 C    4.638100      0.1499000      0.8855000    
 H   -1.455000      -1.760500      -1.358800    
 H   -2.455600      0.4793000      -1.265500    
 H  -0.7133000      0.6192000      -1.499800    
 H   8.3800003E-02 -0.8991000       1.128500    
 H   7.3399998E-02  -2.525800      0.4258000    
 H  -0.6496000       2.767100     -0.5692000    
 H   -2.036200       3.017600       2.139200    
 H  -0.3006000       3.024600       1.862000    
 H   -1.296200       4.353400       1.225000    
 H   -3.620700       2.265900     -2.0300001E-02
 H   -2.822900       2.494400      -1.585500    
 H   -3.013500       3.861100     -0.5104000    
 H    2.042800      -1.899100       1.593400    
 H    4.876300       1.325900     -0.8922000    
 H    3.399000       1.324600      -2.716600    
 H    2.389800     -0.1055000      -2.932300    
 H    1.723200       1.353700      -2.150800    
 H    4.148100      -1.125200       2.550600    
 H    5.580500      0.4781000       1.314100    
 H   -4.095400     -0.9989000       2.091600    
 H   -5.455200     -0.8861000       1.024800    


%chk=000047211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047211

0 1
O -1.724857 1.460907 0.457477
O 0.946592 -0.505038 -0.529714
O -2.432145 -1.401074 0.540131
O -3.779606 -1.913234 -1.332576
N -4.461722 -2.363554 0.870282
C -1.417707 -0.807526 -0.370296
C -1.774861 0.633844 -0.747870
C -0.104016 -0.925592 0.408532
C -1.668784 2.916195 0.188209
C -1.357598 3.566982 1.540780
C -2.982247 3.433510 -0.432444
C 2.272217 -0.470420 -0.055613
C 3.241626 -0.043154 -1.010619
C 2.644788 -0.830718 1.260864
C 4.591316 0.009801 -0.596960
C 2.813222 0.335989 -2.413459
C 4.005043 -0.765862 1.642261
C -3.591634 -1.898861 -0.090100
C 4.983027 -0.346093 0.716862
H -1.379652 -1.409091 -1.297595
H -2.779973 0.652419 -1.213189
H -1.026324 0.983767 -1.492214
H -0.127962 -0.259375 1.290335
H 0.056703 -1.974642 0.723875
H -0.828408 3.103878 -0.520308
H -2.170891 3.358910 2.258756
H -0.417695 3.163496 1.954862
H -1.254797 4.661582 1.431155
H -3.833172 3.205622 0.234586
H -3.180042 2.975606 -1.418085
H -2.932066 4.528894 -0.574448
H 1.895480 -1.158222 1.987348
H 5.348138 0.336342 -1.320484
H 3.682038 0.634834 -3.024300
H 2.302190 -0.505526 -2.916529
H 2.090725 1.173381 -2.397584
H 4.291970 -1.045061 2.662232
H 6.037260 -0.295722 1.008916
H -4.226927 -2.287849 1.856936
H -5.346552 -2.764547 0.573587


