%chk=000051772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051772

1 1
 O   0.6021000     -0.8704000      0.5343000    
 O   -3.067600      0.2445000      0.3643000    
 O  -0.6891000     -0.7480000      -1.376300    
 O   -5.246400      0.2315000     -0.4036000    
 N    4.060200      0.4375000      2.7700000E-02
 C    2.893000     -0.1947000      0.7721000    
 C    4.456100     -0.4505000      -1.143100    
 C    3.648600       1.807600     -0.4914000    
 C    5.243200      0.5876000      0.9734000    
 C    1.707300     -0.3137000     -0.1649000    
 C  -0.5434000      -1.035300     -0.1953000    
 C   -1.625300      -1.650000      0.6584000    
 C   -2.999800      -1.169500      0.2290000    
 C   -4.256600      0.8197000      1.0700000E-02
 C   -4.182300       2.303900      0.2045000    
 H    3.209100      -1.175900       1.146100    
 H    2.653900      0.4345000       1.638100    
 H    4.583800      -1.474800     -0.7804000    
 H    3.701100     -0.3980000      -1.931000    
 H    5.404000     -7.6800004E-02  -1.544000    
 H    3.181000       2.368200      0.3235000    
 H    4.553100       2.325900     -0.8267000    
 H    2.975700       1.703800      -1.346100    
 H    5.520800     -0.4057000       1.338700    
 H    6.075800       1.038400      0.4251000    
 H    4.941000       1.231700       1.804500    
 H    1.383300      0.6597000     -0.5423000    
 H    1.922900     -0.9768000      -1.007600    
 H   -1.549400      -2.739100      0.5868000    
 H   -1.454700      -1.348400       1.698700    
 H   -3.194900      -1.447000     -0.8138000    
 H   -3.761400      -1.632900      0.8669000    
 H   -3.393300       2.720600     -0.4266000    
 H   -3.994200       2.531000       1.256800    
 H   -5.135200       2.755900     -8.5100003E-02


%chk=000051772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051772

1 1
O 0.591791 -0.926115 0.359050
O -3.079918 0.243197 0.475145
O -0.692311 -0.954047 -1.580183
O -5.299438 0.291343 -0.227948
N 4.087620 0.482931 -0.004657
C 2.771236 -0.094414 0.566194
C 4.746462 -0.507231 -0.967312
C 3.835372 1.808655 -0.725783
C 5.033728 0.731476 1.174154
C 1.696069 -0.415602 -0.480808
C -0.619385 -1.170132 -0.357798
C -1.686079 -1.720800 0.563932
C -3.080194 -1.216325 0.185891
C -4.303283 0.901436 0.208288
C -4.195931 2.373451 0.528809
H 3.037607 -1.010094 1.120841
H 2.378901 0.647070 1.282616
H 4.858323 -1.478407 -0.461674
H 4.123458 -0.620615 -1.865771
H 5.735603 -0.118375 -1.253573
H 3.313693 2.495280 -0.041865
H 4.803514 2.240040 -1.022769
H 3.221694 1.632753 -1.620525
H 5.227985 -0.222662 1.687120
H 5.977552 1.151733 0.795132
H 4.561802 1.440514 1.871136
H 1.346744 0.467231 -1.045294
H 1.999708 -1.196916 -1.200727
H -1.673199 -2.825267 0.472639
H -1.443098 -1.471672 1.609144
H -3.304399 -1.375584 -0.882963
H -3.860761 -1.709911 0.789853
H -3.404388 2.841258 -0.081934
H -3.926646 2.515775 1.589646
H -5.157433 2.864528 0.323396


