%chk=000059658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059658

0 1
 O   -3.490700     -0.5316000      0.1915000    
 O   -1.359300      -1.188900      0.9563000    
 O    3.403200      0.3718000      0.4107000    
 O    1.534800     -0.2674000     -0.9515000    
 N   2.9800000E-02   1.894800      0.1861000    
 C  -0.6026000       1.557300       1.456500    
 C   -2.041800       1.095700       1.224300    
 C    1.487700       1.837600      0.3054000    
 C   -2.118100     -0.1477000      0.3271000    
 C    1.979900      0.3862000      0.2460000    
 C  -0.3914000       3.223100     -0.2618000    
 C   -4.191800      0.2498000     -0.7665000    
 C   -1.365600      -2.393100      0.2007000    
 C    3.889500     -0.9002000      0.8188000    
 C    2.297700      2.9800000E-02  -2.113000    
 C   -5.626300     -0.2284000     -0.8383000    
 C  -0.5465000      -3.437000      0.9295000    
 C    5.394200     -0.8278000      0.9686000    
 C    1.717200     -0.7240000      -3.290500    
 H  -0.5947000       2.411600       2.146500    
 H  -7.8400001E-02  0.7555000       1.986700    
 H   -2.478700      0.8486000       2.201500    
 H   -2.654100       1.913900      0.8357000    
 H    1.846400       2.331200       1.218700    
 H    1.956300       2.384600     -0.5226000    
 H   -1.685900      4.6399999E-02 -0.6627000    
 H    1.542800     -0.1749000       1.078300    
 H   -1.473200       3.274700     -0.4179000    
 H  -0.1048000       4.009600      0.4460000    
 H   6.0300000E-02   3.458800      -1.232600    
 H   -3.719800      0.1368000      -1.748900    
 H   -4.185300       1.308200     -0.4921000    
 H   -2.390000      -2.761200      7.9700001E-02
 H  -0.9342000      -2.209200     -0.7895000    
 H    3.626500      -1.661400      7.6499999E-02
 H    3.442400      -1.175700       1.780600    
 H    3.339900     -0.2755000      -1.977600    
 H    2.267700       1.103400      -2.322300    
 H   -6.194400      0.3472000      -1.574400    
 H   -6.113700     -0.1326000      0.1376000    
 H   -5.666300      -1.288100      -1.111300    
 H  -0.5279000      -4.378300      0.3732000    
 H  -0.9581000      -3.623300       1.926900    
 H   0.4825000      -3.089000       1.069600    
 H    5.862000     -0.5421000      2.0600000E-02
 H    5.672700     -6.5300003E-02   1.703500    
 H    5.802400      -1.791000       1.287300    
 H    1.732000      -1.802700      -3.102400    
 H   0.6707000     -0.4433000      -3.449100    
 H    2.280700     -0.5170000      -4.204500    


%chk=000059658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059658

0 1
O -3.342643 -0.240756 0.042100
O -1.449231 -0.919501 1.375386
O 3.192135 0.080141 0.343858
O 1.141430 -0.178461 -0.911221
N 0.197759 2.281527 0.522427
C -0.628067 1.881470 1.694778
C -2.035762 1.400256 1.283812
C 1.601087 1.832540 0.573642
C -1.981113 0.100781 0.479445
C 1.752294 0.317053 0.320774
C 0.042743 3.705155 0.172154
C -3.457783 -0.585150 -1.388059
C -1.217911 -2.222872 0.722217
C 3.550365 -1.352878 0.401010
C 1.483504 0.570368 -2.139050
C -4.918811 -0.951796 -1.647496
C -0.498517 -3.120135 1.729907
C 5.075400 -1.442734 0.413959
C 0.984774 -0.260301 -3.322022
H -0.718455 2.726985 2.417404
H -0.127446 1.055905 2.229156
H -2.655850 1.225043 2.183226
H -2.543594 2.166214 0.669436
H 2.101080 2.047780 1.548730
H 2.179436 2.370358 -0.199474
H -1.311520 0.193692 -0.403520
H 1.241576 -0.288103 1.096631
H -1.028291 3.942305 0.040472
H 0.450242 4.403026 0.946981
H 0.553651 3.920027 -0.784400
H -2.786376 -1.434551 -1.637928
H -3.154225 0.284262 -2.011200
H -2.194817 -2.662021 0.434711
H -0.604796 -2.067260 -0.191432
H 3.117874 -1.874760 -0.475464
H 3.112592 -1.799966 1.320909
H 2.581008 0.719821 -2.187194
H 0.983401 1.559306 -2.110563
H -5.071581 -1.210291 -2.711710
H -5.578902 -0.104457 -1.393295
H -5.216277 -1.815605 -1.028010
H -0.332811 -4.125983 1.301592
H -1.099953 -3.225417 2.649569
H 0.482376 -2.693131 2.006507
H 5.497463 -0.994227 -0.502184
H 5.489887 -0.904364 1.283778
H 5.398036 -2.498716 0.467845
H 1.481997 -1.245792 -3.345263
H -0.105008 -0.425383 -3.247309
H 1.193330 0.260495 -4.274724


