%chk=000057381.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057381

0 1
 O   -6.990800       1.615500     -0.6030000    
 O   -1.555000       1.323300      5.9500001E-02
 O   -3.103100      -2.986700      0.5373000    
 O    4.611900     -0.4395000       1.078500    
 N   -2.646000     -0.6933000      0.4910000    
 N   -4.537900      0.7354000      0.5417000    
 N   -1.283600      -2.077500     -0.6026000    
 C  -0.7053000     -0.7708000     -0.8710000    
 C   -3.734200     -0.2081000       1.316000    
 C   -1.666400      0.1087000     -5.6299999E-02
 C   0.7215000     -0.6824000     -0.3478000    
 C   -2.434400      -2.023200      0.1862000    
 C   -5.609400       1.308900       1.367900    
 C   -5.110800      8.2699999E-02 -0.6436000    
 C  -0.9128000     -0.4276000      -2.351800    
 C   -6.441900       2.280000      0.5357000    
 C   -5.954200       1.083300      -1.428600    
 C   0.9543000     -0.4358000       1.005000    
 C    1.796000     -0.8470000      -1.221900    
 C    2.261900     -0.3539000       1.484100    
 C    3.103500     -0.7652000     -0.7428000    
 C    3.327900     -0.5192000      0.6069000    
 C    7.822100       1.310000      9.2100002E-02
 C    6.698200      0.7308000      0.9663000    
 C    5.599100      3.5500001E-02  0.1717000    
 C    7.326000       2.421500     -0.8337000    
 C    8.463200      0.1945000     -0.7368000    
 H   -4.326300      -1.049700       1.693900    
 H   -3.276900      0.3102000       2.166900    
 H  -0.8962000      -2.946600     -0.9575000    
 H   -6.257800      0.5124000       1.755900    
 H   -5.183700       1.847200       2.222500    
 H   -4.335800     -0.2920000      -1.320200    
 H   -5.739200     -0.7662000     -0.3436000    
 H   -1.978800     -0.3783000      -2.606600    
 H  -0.4762000      0.5470000      -2.599200    
 H  -0.4683000      -1.181600      -3.011200    
 H   -5.848700       3.141700      0.2059000    
 H   -7.276600       2.661600       1.132400    
 H   -6.430300      0.5838000      -2.278500    
 H   -5.343800       1.903900      -1.825400    
 H   0.1422000     -0.3206000       1.716800    
 H    1.650800      -1.057000      -2.276600    
 H    2.439400     -0.1656000       2.539100    
 H    3.910600     -0.9305000      -1.450000    
 H    8.583600       1.731300      0.7600000    
 H    7.120600      2.0000000E-02   1.688500    
 H    6.254600       1.530100       1.574100    
 H    5.996000     -0.8246000     -0.3765000    
 H    5.169700      0.7573000     -0.5320000    
 H    6.803000       3.197000     -0.2645000    
 H    8.171900       2.896300      -1.342900    
 H    6.648500       2.047600      -1.607600    
 H    8.753700     -0.6506000     -0.1039000    
 H    7.801200     -0.1737000      -1.526900    
 H    9.370700      0.5658000      -1.226200    


%chk=000057381-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057381

0 1
O -7.334886 1.442610 -0.496169
O -1.539751 1.519001 -0.348655
O -3.276577 -2.687206 0.844828
O 4.682300 -0.540870 0.744834
N -2.578260 -0.420538 0.529267
N -4.815097 0.589579 0.590457
N -1.476436 -2.041757 -0.577057
C -0.817409 -0.798938 -1.035565
C -3.635597 0.219958 1.355384
C -1.659347 0.273039 -0.257989
C 0.660356 -0.727715 -0.606669
C -2.516874 -1.837913 0.314033
C -5.117981 2.031208 0.462172
C -6.020482 -0.250771 0.761812
C -1.029614 -0.578322 -2.555067
C -6.110932 2.239421 -0.694825
C -6.991835 0.011992 -0.402046
C 1.136375 -1.507524 0.481795
C 1.565194 0.155191 -1.241214
C 2.473510 -1.424278 0.905861
C 2.911720 0.251528 -0.826904
C 3.372224 -0.545077 0.251053
C 8.179033 0.979236 0.273791
C 6.992187 0.138062 0.825662
C 5.663272 0.354996 0.095441
C 7.944167 2.503589 0.419905
C 8.541046 0.608783 -1.186117
H -3.875421 -0.515625 2.146111
H -3.167310 1.110495 1.812186
H -1.229212 -2.971965 -0.909281
H -5.565614 2.444047 1.399090
H -4.181804 2.578510 0.248205
H -5.721162 -1.314854 0.767104
H -6.542672 -0.028397 1.724441
H -2.090084 -0.740942 -2.813595
H -0.767464 0.455820 -2.832543
H -0.404820 -1.275692 -3.140156
H -5.626421 1.948592 -1.651963
H -6.448365 3.287649 -0.749689
H -7.950493 -0.510867 -0.250040
H -6.526206 -0.323370 -1.354109
H 0.453185 -2.189494 0.998860
H 1.227444 0.790997 -2.064909
H 2.844471 -2.027534 1.739999
H 3.580140 0.946395 -1.342999
H 9.052996 0.718182 0.906397
H 7.245495 -0.938143 0.766764
H 6.840320 0.374785 1.896479
H 5.739461 0.092076 -0.978900
H 5.314189 1.403201 0.185154
H 7.662356 2.768926 1.456035
H 8.860125 3.066575 0.162176
H 7.140582 2.859178 -0.252594
H 8.703621 -0.479817 -1.295718
H 7.742910 0.906131 -1.892487
H 9.467144 1.123957 -1.501334


