%chk=000053417.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053417

0 1
 O    1.585800     -0.3414000     -0.6015000    
 O   -2.745200      -2.441300     -0.2622000    
 O   -2.259500       2.017500       1.039000    
 O   6.9200002E-02  -2.632400     -0.9783000    
 O   0.2639000       3.114900      -1.657300    
 N   0.4513000       1.979900      0.3994000    
 N    4.860900      -1.063700      0.9166000    
 C   -2.466500     -0.2866000      0.3567000    
 C  -0.3321000      0.8342000      0.2161000    
 C   0.2545000     -0.3288000     -0.2894000    
 C   -1.845500      -1.424100     -0.1488000    
 C   -1.694000      0.8728000      0.5450000    
 C  -0.4947000      -1.493000     -0.4848000    
 C   -3.825200     -0.6462000      0.5585000    
 C    2.485400     -0.7233000      0.4341000    
 C   -3.940600      -1.960200      0.1682000    
 C    3.902700     -0.6958000     -0.1152000    
 C   0.6944000       3.011000     -0.5132000    
 C   -2.798800       2.928700      8.8000000E-02
 C   1.2900000E-02  -3.792300     -0.1515000    
 C    1.596000       4.069200      7.1500003E-02
 C    6.225100     -0.9993000      0.4090000    
 H   -4.622100     -2.4200000E-02  0.9411000    
 H    2.393000     -2.8300000E-02   1.277900    
 H    2.235700      -1.731600      0.7868000    
 H   0.8223000       2.090600       1.340500    
 H   -4.762900      -2.659900      0.1373000    
 H    4.113100      0.3112000     -0.4970000    
 H    3.970800      -1.376200     -0.9735000    
 H    4.665600      -2.008800       1.245300    
 H   -2.605200       3.947200      0.4356000    
 H   -2.361000       2.805600     -0.9077000    
 H   -3.880800       2.779200      2.5200000E-02
 H   0.1431000      -3.539700      0.9063000    
 H   0.8268000      -4.459800     -0.4485000    
 H  -0.9338000      -4.318500     -0.3026000    
 H    6.376400      -1.692600     -0.4249000    
 H    6.923300      -1.273700       1.205900    
 H    6.479700      1.4600000E-02  8.3600000E-02
 H    1.074100       4.588800      0.8799000    
 H    1.868100       4.792500     -0.7021000    
 H    2.509200       3.610100      0.4611000    


%chk=000053417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053417

0 1
O 1.800148 -0.217194 -0.203037
O -2.596322 -2.479228 0.484730
O -2.208620 2.274207 0.841122
O 0.391327 -2.721858 -0.130182
O -0.702836 3.497910 -1.289874
N 0.596504 2.121410 0.103942
N 5.087878 -1.591342 0.881219
C -2.358923 -0.168939 0.531579
C -0.243558 0.977106 0.192813
C 0.413761 -0.295687 0.040055
C -1.690685 -1.403379 0.318911
C -1.631881 1.052049 0.471789
C -0.307885 -1.517296 0.058050
C -3.735878 -0.507598 0.864307
C 2.704034 -1.124163 0.562265
C -3.839062 -1.879046 0.820961
C 4.131294 -0.658080 0.256055
C 0.346376 3.291450 -0.616704
C -3.298849 2.780322 -0.029507
C -0.296266 -3.772472 -0.913000
C 1.456952 4.336078 -0.509999
C 6.495155 -1.153379 0.850689
H -4.533575 0.181898 1.129245
H 2.482578 -1.044790 1.643108
H 2.532456 -2.164274 0.236598
H 1.571556 1.936503 0.357031
H -4.653137 -2.577831 0.991444
H 4.296953 0.347405 0.689098
H 4.248105 -0.558950 -0.851065
H 4.970863 -2.549792 0.527923
H -3.670237 3.684648 0.475965
H -2.875455 3.036509 -1.013365
H -4.114479 2.039719 -0.126066
H -1.176586 -4.156367 -0.372163
H 0.454924 -4.566797 -1.038720
H -0.603462 -3.379440 -1.900059
H 6.893932 -0.949608 -0.173207
H 7.132145 -1.923489 1.320309
H 6.606253 -0.225360 1.441742
H 1.150675 5.113046 0.213876
H 1.585090 4.823290 -1.489688
H 2.424139 3.919111 -0.178089


