%chk=000130049.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130049

0 1
 O    1.368600      0.7859000       1.649000    
 O    2.390000      -1.644400      0.7538000    
 O   -4.955200       2.175600      -1.891900    
 N   -3.994500      0.9247000     -0.1164000    
 N   -4.885900     -0.1974000      -1.833500    
 C   -1.714600      -1.123500       1.190600    
 C   -3.186600     -0.9416000       1.346000    
 C   0.5307000     -0.2454000       1.349200    
 C    1.039000      -1.464400      0.9004000    
 C  -0.8462000     -7.5000003E-02   1.494200    
 C    2.553300       2.682500      0.7810000    
 C    4.273300      -1.437100     -0.7103000    
 C    1.202300       1.992700      0.9071000    
 C   -3.852200     -0.4257000      0.1086000    
 C    2.856000      -1.968300     -0.5488000    
 C   -1.206200      -2.342500      0.7419000    
 C   0.1706000      -2.512800      0.5966000    
 C    2.446400       3.994200      8.7000001E-03
 C    4.832900      -1.737000      -2.097900    
 C   -4.388100      -1.094300     -0.9233000    
 C    3.789700       4.701000     -7.7799998E-02
 C    6.231800      -1.167200      -2.269600    
 C   -4.655300       1.119900      -1.357800    
 H   -3.643500      -1.899600       1.629700    
 H   -3.400000     -0.2745000       2.191800    
 H   -1.243900      0.8720000       1.850900    
 H    3.262300       2.007100      0.2860000    
 H    2.962000       2.863500       1.783100    
 H    4.917500      -1.874200      6.2899999E-02
 H    4.276400     -0.3553000     -0.5262000    
 H   0.4950000       2.637700       1.440700    
 H   0.8018000       1.784100     -9.3500003E-02
 H    2.208600      -1.524300      -1.316200    
 H    2.845300      -3.057700     -0.6692000    
 H   -1.871500      -3.168000      0.5027000    
 H   0.5524000      -3.470500      0.2536000    
 H    1.724000       4.657400      0.4985000    
 H    2.074400       3.800800      -1.004200    
 H    4.176500      -1.310000      -2.865200    
 H    4.861400      -2.820500      -2.261600    
 H   -3.672200       1.650700      0.5119000    
 H   -4.458200      -2.156200      -1.090400    
 H    4.529000       4.076600     -0.5896000    
 H    3.690300       5.637000     -0.6363000    
 H    4.172500       4.939600      0.9197000    
 H    6.922600      -1.595900      -1.536500    
 H    6.613700      -1.394600      -3.269800    
 H    6.230400     -7.9499997E-02  -2.145700    
 H   -5.341300     -0.4518000      -2.701400    


%chk=000130049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130049

0 1
O 1.732909 1.517831 0.489067
O 2.516970 -0.802859 -0.524543
O -5.480965 -1.073493 -3.249050
N -4.082736 -0.422219 -1.390575
N -5.830040 -1.699973 -0.946822
C -1.579612 -0.297889 0.494620
C -3.034489 -0.069575 0.920757
C 0.732919 0.551281 0.339496
C 1.158058 -0.702815 -0.208186
C -0.625063 0.736794 0.679904
C 2.615150 3.679678 1.094088
C 4.484211 -1.913525 -1.378872
C 1.346905 2.825215 1.051248
C -4.064479 -0.668969 0.003217
C 2.986906 -2.073313 -1.108351
C -1.151342 -1.527468 -0.046361
C 0.205260 -1.728172 -0.394651
C 2.351784 5.091293 1.668375
C 5.099840 -3.185484 -2.007385
C -5.158075 -1.464772 0.273763
C 3.629020 5.957915 1.698633
C 6.609416 -3.028559 -2.289961
C -5.171394 -1.063899 -2.024687
H -3.203511 -0.494431 1.929898
H -3.207519 1.022236 1.017381
H -0.955743 1.694660 1.095563
H 3.025861 3.758630 0.069398
H 3.377119 3.158720 1.704616
H 4.997669 -1.673998 -0.428213
H 4.635267 -1.047899 -2.051694
H 0.924557 2.683692 2.069047
H 0.572012 3.295142 0.408435
H 2.432681 -2.279523 -2.048706
H 2.796469 -2.904333 -0.396155
H -1.876067 -2.334276 -0.202767
H 0.510693 -2.691172 -0.813763
H 1.940613 5.004266 2.695058
H 1.574974 5.600183 1.061531
H 4.570499 -3.425148 -2.952280
H 4.938889 -4.049336 -1.330283
H -3.365918 0.076797 -1.913211
H -5.502017 -1.862173 1.223782
H 4.041964 6.089284 0.681064
H 3.425546 6.961586 2.114221
H 4.412828 5.485875 2.320077
H 7.166760 -2.816954 -1.358294
H 7.033382 -3.945788 -2.737695
H 6.796029 -2.192257 -2.989349
H -6.668890 -2.257011 -1.085884


