%chk=000047620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047620

0 1
 O   -5.477500      -1.033000      -1.694100    
 O   -5.513500      0.8279000     -0.3958000    
 O  -0.7611000      0.2486000      -1.547900    
 O    1.949300     -0.5464000       2.022900    
 N   -2.763500      0.8796000     -0.5561000    
 N   0.7409000      -2.529300       2.059900    
 C   -3.246500      -1.255200      0.5877000    
 C   -1.829000      -1.249700       1.173300    
 C   -3.423000     -0.3961000     -0.6654000    
 C   -1.674200      -2.162000       2.394500    
 C  -0.2696000      -2.103400       2.988900    
 C   -4.892900     -0.1021000     -0.8947000    
 C   -1.469300       1.097900      -1.013100    
 C   -1.026600       2.529100     -0.7768000    
 C    1.782300      -1.704000       1.647200    
 C    2.704300      -2.408300      0.6705000    
 C   0.1943000       2.639400      9.7599998E-02
 C    2.790400      -1.724100     -0.6681000    
 C   5.3700000E-02   2.746800       1.481400    
 C    1.465900       2.633700     -0.4757000    
 C    1.901700      -2.069400      -1.686300    
 C    3.758500     -0.7446000     -0.8899000    
 C    1.184500       2.848700       2.291600    
 C    2.596800       2.735500      0.3346000    
 C    2.455900       2.843000       1.718200    
 C    1.981200      -1.435600      -2.926300    
 C    3.837900     -0.1107000      -2.129800    
 C    2.949200     -0.4562000      -3.148100    
 H   -3.934700     -0.9074000       1.370300    
 H   -3.551400      -2.284500      0.3598000    
 H   -1.552500     -0.2329000       1.474100    
 H   -1.127700      -1.567500      0.3936000    
 H   -3.017900     -0.9154000      -1.541800    
 H   -1.907200      -3.193900       2.104000    
 H   -2.399100      -1.872100       3.164300    
 H  -5.4699998E-02  -1.091700       3.349400    
 H  -0.2120000      -2.778300       3.849700    
 H   -3.263300       1.634900     -9.5700003E-02
 H   0.6955000      -3.487400       1.726400    
 H   -1.835000       3.134100     -0.3487000    
 H  -0.8250000       2.973600      -1.760100    
 H    2.409000      -3.454300      0.5242000    
 H    3.698200      -2.451900       1.134400    
 H   -6.433500     -0.8550000      -1.823300    
 H  -0.9318000       2.748600       1.939600    
 H    1.588800       2.548300      -1.552200    
 H    1.140600      -2.828000      -1.523900    
 H    4.454500     -0.4642000     -0.1038000    
 H    1.075100       2.930300       3.369000    
 H    3.587000       2.730400     -0.1114000    
 H    3.336400       2.920700       2.349100    
 H    1.287800      -1.703000      -3.718300    
 H    4.590100      0.6536000      -2.301800    
 H    3.009900      3.8699999E-02  -4.112900    


%chk=000047620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047620

0 1
O -5.642616 -0.507063 -0.264192
O -4.913172 1.663421 0.131426
O -1.117650 -0.201056 -1.979202
O 1.920410 -1.052169 1.315746
N -2.252129 0.882251 -0.264698
N 0.977982 -3.167210 1.552214
C -3.041387 -1.083343 1.117160
C -1.579592 -1.567455 1.220242
C -3.261495 -0.168375 -0.136218
C -1.373644 -2.618045 2.333585
C 0.119999 -2.809874 2.696599
C -4.649023 0.460552 -0.083643
C -1.222149 0.784707 -1.180015
C -0.214535 1.950925 -1.193652
C 1.841466 -2.263392 0.948157
C 2.732564 -2.873446 -0.151389
C -0.038792 2.674372 0.133726
C 3.037198 -1.938105 -1.313753
C -0.677465 3.917705 0.378706
C 0.757170 2.095525 1.159698
C 1.988614 -1.363473 -2.076199
C 4.377451 -1.652229 -1.671614
C -0.527111 4.575604 1.622239
C 0.907361 2.754489 2.399959
C 0.267026 3.994696 2.637083
C 2.277079 -0.527295 -3.176933
C 4.669788 -0.816855 -2.774685
C 3.618850 -0.253571 -3.533614
H -3.314334 -0.527900 2.037698
H -3.737948 -1.939166 1.034552
H -0.918843 -0.702974 1.416308
H -1.257697 -1.983864 0.246816
H -3.177665 -0.797310 -1.042175
H -1.827985 -3.585770 2.036721
H -1.895829 -2.298056 3.259120
H 0.524472 -1.862840 3.095559
H 0.225101 -3.586837 3.478527
H -2.309953 1.703741 0.343975
H 0.928932 -4.118366 1.182680
H -0.547046 2.654393 -1.981748
H 0.738526 1.512748 -1.536429
H 2.264660 -3.805827 -0.528741
H 3.680745 -3.173857 0.336141
H -6.538922 -0.079227 -0.193784
H -1.286125 4.379200 -0.409557
H 1.260449 1.134944 0.993015
H 0.938281 -1.541973 -1.817829
H 5.197967 -2.080259 -1.081868
H -1.023271 5.537539 1.794291
H 1.530401 2.299547 3.178355
H 0.389653 4.504384 3.599627
H 1.446643 -0.096284 -3.747245
H 5.712748 -0.605344 -3.037162
H 3.842044 0.393866 -4.389381


