%chk=000038398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038398

0 1
 I    6.573800       3.357600     -0.2981000    
 I    5.446800      -4.228100      0.6959000    
 O   -4.420100      -2.582400      -1.179000    
 O   -2.696700      -2.367200      0.2873000    
 N    4.036200     -0.1652000      2.1400001E-02
 N   -1.488400      0.5624000     -0.5400000    
 N   -2.061900      0.3196000      0.5470000    
 C    2.645400      2.3100000E-02 -0.1189000    
 C    4.890600      0.9390000      0.4104000    
 C    4.630800      -1.461900     -0.2352000    
 C    2.081900       1.274700      0.1302000    
 C   0.7063000       1.460300     -8.8000000E-03
 C    1.833200      -1.042600     -0.5069000    
 C  -0.1006000      0.3939000     -0.3964000    
 C    5.347400       1.693500     -0.8320000    
 C    4.618800      -2.290900       1.043200    
 C   0.4578000     -0.8568000     -0.6459000    
 C   0.1252000       2.809000      0.2651000    
 C   -3.445200      0.4877000      0.4043000    
 C   -4.260300     -0.5765000      1.8100001E-02
 C   -4.005600       1.740300      0.6545000    
 C   -5.635700     -0.3878000     -0.1178000    
 C   -5.381000       1.928800      0.5187000    
 C   -6.196000      0.8649000      0.1325000    
 C   -3.702400      -1.895500     -0.2497000    
 H    4.445900       1.586100       1.174300    
 H    5.781500      0.5348000      0.9122000    
 H    5.676900      -1.317400     -0.5406000    
 H    4.187300      -1.980000      -1.092700    
 H    2.671800       2.137500      0.4183000    
 H    2.202800      -2.043300     -0.6992000    
 H    4.488400       2.056700      -1.407000    
 H    5.909000       1.027200      -1.497200    
 H    3.598900      -2.404900       1.426800    
 H    5.193000      -1.786100       1.828800    
 H  -0.1664000      -1.693300     -0.9484000    
 H   0.9015000       3.572900      0.3819000    
 H  -0.5149000       3.130900     -0.5632000    
 H  -0.4632000       2.788400       1.188000    
 H   -3.379900       2.576100      0.9570000    
 H   -6.299600      -1.199300     -0.4040000    
 H   -5.817400       2.903900      0.7145000    
 H   -7.267300       1.011500      2.9800000E-02
 H   -4.038200      -3.469100      -1.353000    


%chk=000038398-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038398

0 1
I 6.406621 1.756849 -3.063766
I 5.974961 -2.551081 3.577065
O -3.584722 2.420217 -1.642701
O -2.958728 0.362281 -2.516722
N 4.123248 -0.206877 0.246442
N -1.533068 0.327167 0.090821
N -2.264122 -0.532172 0.758828
C 2.720355 -0.093027 0.221537
C 4.990013 0.741843 -0.481023
C 4.797500 -1.294354 0.983784
C 2.073431 0.917903 -0.555993
C 0.673116 1.052777 -0.595916
C 1.893323 -0.989963 0.976386
C -0.131721 0.143614 0.164704
C 5.146945 0.307233 -1.952782
C 4.988054 -0.905503 2.464121
C 0.502672 -0.870918 0.938589
C 0.028744 2.118769 -1.459851
C -3.666031 -0.321032 0.604929
C -4.265917 0.468841 -0.427535
C -4.490435 -0.944245 1.577776
C -5.666177 0.661284 -0.416969
C -5.886628 -0.758086 1.565212
C -6.477169 0.056038 0.570720
C -3.492728 1.016589 -1.590924
H 4.585269 1.766552 -0.419540
H 5.981342 0.764908 0.004763
H 5.782893 -1.481510 0.521962
H 4.227055 -2.235271 0.900021
H 2.663846 1.614549 -1.158556
H 2.336934 -1.774202 1.596445
H 4.188374 0.283990 -2.491043
H 5.664661 -0.658811 -2.052601
H 4.033629 -0.734458 2.982608
H 5.650308 -0.035517 2.587928
H -0.132346 -1.553719 1.511463
H 0.788054 2.783193 -1.906701
H -0.553297 1.647505 -2.273257
H -0.682592 2.726101 -0.873632
H -4.001009 -1.552010 2.345313
H -6.124885 1.279216 -1.196079
H -6.509727 -1.237934 2.327239
H -7.560789 0.212872 0.554953
H -3.128856 2.732897 -2.471819


