%chk=000012687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012687

1 1
 O    3.091400      -1.857900      -1.960100    
 O    2.533800      -3.122900     -0.1514000    
 N    3.990300     -0.3300000      0.6831000    
 C    3.313200      0.6087000     -0.2416000    
 C    2.888000       1.874100      0.4929000    
 C    2.126600       2.907800     -0.3452000    
 C    4.427700      -1.604800     -5.3399999E-02
 C   0.8415000       2.408400      -1.012500    
 C    5.240600      0.3147000       1.299700    
 C    3.053800     -0.7411000       1.828900    
 C  -0.1714000       1.826300     -2.3200000E-02
 C   -1.468500       1.427900     -0.7324000    
 C   -2.531300      0.8631000      0.2146000    
 C   -3.818600      0.4419000     -0.4977000    
 C   -4.870600     -4.5100000E-02  0.5015000    
 C    3.253900      -2.291800     -0.6842000    
 C   -6.171800     -0.4303000     -0.2043000    
 C   -7.211200     -0.9484000      0.7894000    
 C   -8.517500      -1.300600      9.5899999E-02
 H    2.424500      0.1189000     -0.6480000    
 H    3.997900      0.8444000      -1.064700    
 H    3.767800       2.403000      0.8756000    
 H    2.264600       1.648400       1.362600    
 H    2.794900       3.288700      -1.127600    
 H    1.883400       3.764500      0.2960000    
 H    4.909800      -2.280400      0.6623000    
 H    5.168500      -1.322700     -0.8108000    
 H   0.3842000       3.251200      -1.545800    
 H    1.086400       1.659100      -1.774400    
 H    5.852100      0.7237000      0.4903000    
 H    4.948100       1.091800       2.009800    
 H    5.793900     -0.4637000       1.835000    
 H    2.070000     -0.9865000       1.419200    
 H    3.488300      -1.609000       2.335100    
 H    2.975600      7.7299997E-02   2.549600    
 H  -0.3919000       2.565700      0.7558000    
 H   0.2443000      0.9427000      0.4734000    
 H   -1.242600      0.6807000      -1.503500    
 H   -1.882100       2.302100      -1.250300    
 H   -2.767100       1.619700      0.9733000    
 H   -2.115500     -7.9999998E-04  0.7479000    
 H   -3.595700     -0.3522000      -1.220300    
 H   -4.216700       1.292700      -1.063800    
 H   -4.479500     -0.9093000       1.052000    
 H   -5.073400      0.7426000       1.237300    
 H   -6.572200      0.4417000     -0.7356000    
 H   -5.968500      -1.201700     -0.9571000    
 H   -6.824900      -1.836100       1.303500    
 H   -7.405600     -0.1885000       1.555300    
 H   -8.947300     -0.4243000     -0.3999000    
 H   -9.245900      -1.669800      0.8246000    
 H   -8.364200      -2.080800     -0.6564000    
 H    2.326900      -2.288800      -2.398400    


%chk=000012687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012687

1 1
O 4.763171 -2.964664 -1.850191
O 2.708022 -2.073506 -1.208425
N 4.122400 -0.309010 0.713059
C 3.413108 0.750650 -0.197066
C 2.828938 1.963402 0.541242
C 2.051139 2.873181 -0.456528
C 4.850729 -1.335054 -0.160885
C 0.785276 2.242006 -1.089122
C 5.186217 0.367681 1.580201
C 3.107300 -1.007587 1.624921
C -0.275875 1.765052 -0.069450
C -1.609749 1.362962 -0.739657
C -2.667406 0.842139 0.259407
C -4.020199 0.508355 -0.409299
C -5.079304 -0.023672 0.582511
C 3.949804 -2.135074 -1.109894
C -6.440952 -0.325086 -0.083381
C -7.501765 -0.857734 0.907053
C -8.861267 -1.146363 0.234835
H 2.627821 0.195169 -0.731178
H 4.180692 1.076089 -0.923924
H 3.629992 2.566914 1.006084
H 2.132964 1.649510 1.340873
H 2.740702 3.212307 -1.256129
H 1.754388 3.782366 0.100170
H 5.377308 -2.045748 0.500163
H 5.612961 -0.805184 -0.757428
H 0.324583 3.007995 -1.743141
H 1.051891 1.403294 -1.765611
H 5.875465 0.932682 0.933702
H 4.692241 1.050337 2.283947
H 5.737786 -0.404068 2.139513
H 2.324034 -1.460748 1.002438
H 3.631657 -1.779295 2.210614
H 2.672769 -0.260832 2.303414
H -0.467664 2.573830 0.666488
H 0.104113 0.896822 0.512580
H -1.418232 0.587042 -1.510057
H -2.019652 2.241003 -1.279787
H -2.831292 1.602387 1.051562
H -2.279023 -0.063747 0.771630
H -3.859906 -0.241951 -1.211611
H -4.413695 1.417712 -0.909260
H -4.697937 -0.945813 1.069664
H -5.227419 0.718723 1.394612
H -6.825375 0.597288 -0.566782
H -6.297663 -1.065659 -0.898007
H -7.121191 -1.782694 1.386861
H -7.641530 -0.119166 1.722816
H -9.277032 -0.231612 -0.228073
H -9.602050 -1.521054 0.964438
H -8.757750 -1.907196 -0.561635
H 4.244453 -3.530080 -2.486276


