%chk=000054896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054896

0 1
 O   -1.372100       3.042200      -1.108200    
 O    4.758900     -0.9841000       1.880000    
 O   -4.824500     -0.9694000       1.551500    
 O   -6.566800      -2.474100       1.401600    
 N   0.8241000       1.734700      0.3149000    
 N    3.216300      0.2422000     -0.1420000    
 N   -5.657900      -1.499200     -0.5204000    
 C    1.822100       1.587200       1.381600    
 C   0.7978000      0.5243000     -0.5151000    
 C    3.220400       1.369500      0.7988000    
 C    2.162200      0.2699000      -1.160600    
 C  -0.4981000       1.996600      0.8824000    
 C    4.435500     -0.3851000     -0.4218000    
 C  -0.4592000       3.283400       1.696100    
 C   -1.474300       2.136900     -0.2806000    
 C   -2.598800       1.165100     -0.4189000    
 C    5.202800     -0.9965000      0.5913000    
 C    4.933900     -0.4225000      -1.740100    
 C   -3.118800      0.6004000      0.7272000    
 C   -3.065700      0.8785000      -1.697100    
 C   -4.156200     -0.2894000      0.5443000    
 C    6.416300      -1.618700      0.2980000    
 C   -4.639100     -0.5916000     -0.7126000    
 C    6.147400      -1.044700      -2.033200    
 C   -4.117900     -2.6799999E-02  -1.857800    
 C    6.888700      -1.642700      -1.014200    
 C   -5.772300      -1.729000      0.8410000    
 C   -6.442600      -2.082600      -1.579000    
 C    3.937900      -2.074500       2.292500    
 H    1.566500      0.7496000       2.044700    
 H    1.896800       2.487400       1.999200    
 H   8.7800004E-02  0.6046000      -1.344200    
 H   0.5076000     -0.3505000      8.2900003E-02
 H    3.544900       2.272900      0.2651000    
 H    3.920400       1.231800       1.628300    
 H    2.113700     -0.6885000      -1.692600    
 H    2.374300       1.056700      -1.896000    
 H  -0.7754000       1.172100       1.544100    
 H   -1.478500       3.641800       1.885300    
 H   6.2000002E-03   3.143700       2.677000    
 H   6.3800000E-02   4.090600       1.169400    
 H    4.392700      4.3699998E-02  -2.559500    
 H   -2.795400      0.8422000       1.730800    
 H   -2.627900       1.337100      -2.579300    
 H    6.999800      -2.085900       1.086800    
 H    6.517100      -1.060900      -3.054300    
 H   -4.497200     -0.2664000      -2.844100    
 H    7.834000      -2.126200      -1.242400    
 H   -6.959000      -1.288900      -2.126600    
 H   -7.183600      -2.769400      -1.160900    
 H   -5.784200      -2.634800      -2.255700    
 H    3.027600      -2.125100       1.686700    
 H    3.653600      -1.913000       3.335900    
 H    4.489200      -3.017400       2.221700    


%chk=000054896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054896

0 1
O -0.973099 1.573752 -1.871890
O 5.493019 -0.412169 2.171234
O -5.420054 -1.085017 1.453661
O -7.678047 -1.821618 1.575870
N 0.954511 0.984709 0.099639
N 3.695745 0.020802 -0.079372
N -6.781621 -0.718475 -0.352821
C 1.867917 1.046372 1.268788
C 1.323987 -0.169019 -0.760570
C 3.330009 1.156191 0.811110
C 2.782105 -0.066035 -1.237257
C -0.480990 0.980104 0.464284
C 5.080394 -0.234459 -0.285920
C -0.856936 2.182515 1.377801
C -1.391038 1.075154 -0.787966
C -2.821089 0.608964 -0.677940
C 5.963530 -0.443159 0.827093
C 5.649243 -0.326961 -1.589269
C -3.344247 -0.044892 0.480321
C -3.665763 0.839416 -1.804275
C -4.681903 -0.425257 0.440874
C 7.340679 -0.660001 0.634269
C -5.520514 -0.196006 -0.680805
C 7.025884 -0.576853 -1.778393
C -5.019696 0.445925 -1.828923
C 7.886145 -0.726013 -0.668409
C -6.765716 -1.272900 0.943982
C -7.978205 -0.719165 -1.197097
C 4.644671 -1.568989 2.533090
H 1.756565 0.143009 1.924879
H 1.635943 1.938989 1.872925
H 0.672088 -0.177405 -1.648798
H 1.192886 -1.137497 -0.210493
H 3.459453 2.118175 0.265036
H 3.997097 1.153316 1.687354
H 3.026107 -0.968781 -1.825409
H 2.876365 0.823603 -1.902387
H -0.739957 0.033804 1.009350
H -1.951509 2.267868 1.485997
H -0.432689 2.072070 2.389660
H -0.476512 3.115486 0.927309
H 5.014542 -0.169888 -2.466599
H -2.738547 -0.249913 1.365680
H -3.216696 1.341276 -2.667201
H 7.965002 -0.794723 1.523983
H 7.426242 -0.633806 -2.796961
H -5.647102 0.633804 -2.705076
H 8.957630 -0.901557 -0.809865
H -8.281305 0.313277 -1.445256
H -8.789840 -1.207080 -0.634981
H -7.797400 -1.281411 -2.130141
H 3.757319 -1.626768 1.875201
H 4.341321 -1.399271 3.578063
H 5.228876 -2.506292 2.458522


