%chk=000028804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028804

0 1
 O  -0.8308000      -2.769000      -1.567200    
 O   -4.549600     -0.8516000       1.917000    
 O   -3.486400       1.987000      -1.791200    
 O   -5.129200       1.356200      0.3475000    
 N    3.196700     -0.4380000      0.2500000    
 N   0.5722000      -1.493300     -0.2004000    
 C    4.374700      0.3713000     -5.5900000E-02
 C    5.598400     -0.5347000     -0.2298000    
 C    4.602600       1.400600       1.056800    
 C    6.865500      0.2827000     -0.4757000    
 C    5.871100       2.215400      0.8099000    
 C    7.090300       1.316500      0.6242000    
 C    2.963800      -1.431400     -0.8085000    
 C    2.013100      0.4169000      0.4215000    
 C    1.756700      -2.305100     -0.4711000    
 C   0.7783000     -0.4155000      0.7735000    
 C  -0.6444000      -1.824700     -0.8013000    
 C   -1.816400     -0.9919000     -0.5002000    
 C   -2.101500      0.1157000      -1.294200    
 C   -2.637100      -1.315900      0.5768000    
 C   -3.751300     -0.5266000      0.8619000    
 C   -3.215700      0.9050000      -1.009000    
 C   -4.040600      0.5839000      6.8999998E-02
 C   -4.219600     -0.2778000       3.180200    
 C   -2.904200       3.229700      -1.402600    
 C   -6.356700      0.9948000     -0.2812000    
 H    4.218400      0.9174000     -0.9981000    
 H    5.740300      -1.165900      0.6571000    
 H    5.508700      -1.196300      -1.096500    
 H    3.794400       2.135400       1.118000    
 H    4.675000      0.9037000       2.033000    
 H    7.731400     -0.3867000     -0.5333000    
 H    6.790400      0.7921000      -1.444600    
 H    5.738200       2.838000     -8.3600000E-02
 H    6.041900       2.896900       1.651200    
 H    7.310600      0.8021000       1.567800    
 H    7.966400       1.928500      0.3817000    
 H    3.792800      -2.135900     -0.9105000    
 H    2.808200     -0.9419000      -1.778900    
 H    1.816400      0.9999000     -0.4879000    
 H    2.120000       1.113700       1.256500    
 H    1.564600      -3.005500      -1.290600    
 H    1.951600      -2.901200      0.4292000    
 H   0.9052000     -0.8928000       1.753100    
 H  -9.3500003E-02  0.2389000      0.8432000    
 H   -1.460100      0.3680000      -2.135300    
 H   -2.414400      -2.181500       1.196000    
 H   -3.221800     -0.5973000       3.497300    
 H   -4.266600      0.8146000       3.131400    
 H   -4.949000     -0.6267000       3.916200    
 H   -3.216300       3.993500      -2.120100    
 H   -3.250400       3.522700     -0.4064000    
 H   -1.811800       3.162000      -1.416000    
 H   -6.661200     -1.2800000E-02  1.8700000E-02
 H   -6.262900       1.050000      -1.370300    
 H   -7.126600       1.702000      3.9200000E-02


%chk=000028804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028804

0 1
O -0.468459 -1.582125 -2.552044
O -3.901354 -0.515153 2.176312
O -4.368633 1.721678 -2.219793
O -5.434401 1.179984 0.414902
N 3.399282 -0.470896 0.104901
N 0.661862 -1.231224 -0.544333
C 4.730535 0.225729 0.033905
C 5.875319 -0.824058 0.004678
C 4.958271 1.192398 1.223861
C 7.274564 -0.168379 -0.057173
C 6.360393 1.848706 1.175787
C 7.491823 0.798397 1.126984
C 3.072030 -1.184669 -1.161585
C 2.252216 0.398681 0.469255
C 1.807780 -2.046696 -0.999701
C 0.963212 -0.433936 0.661021
C -0.455385 -1.105635 -1.368849
C -1.689276 -0.430111 -0.817490
C -2.428665 0.406733 -1.684476
C -2.181862 -0.700231 0.483719
C -3.407961 -0.146386 0.902904
C -3.653206 0.973614 -1.268992
C -4.169245 0.676791 0.025670
C -4.115218 0.606440 3.119916
C -4.828143 3.068160 -1.813664
C -6.493109 0.138189 0.451869
H 4.790746 0.836308 -0.908165
H 5.786559 -1.441551 0.920852
H 5.762157 -1.507810 -0.856556
H 4.199526 1.996880 1.226273
H 4.841830 0.622818 2.169101
H 8.053003 -0.955538 -0.062379
H 7.380330 0.390704 -1.010341
H 6.427428 2.495257 0.275903
H 6.484623 2.512213 2.053463
H 7.499735 0.221174 2.074526
H 8.476334 1.298248 1.044588
H 3.906539 -1.849328 -1.438458
H 2.917379 -0.463866 -2.004466
H 2.060617 1.186878 -0.305571
H 2.458932 0.905310 1.426025
H 1.529222 -2.509777 -1.959923
H 2.000231 -2.835751 -0.246206
H 1.108575 -1.114016 1.524850
H 0.124075 0.243429 0.880595
H -2.077418 0.591423 -2.703263
H -1.654645 -1.367811 1.171822
H -3.148970 1.091413 3.357789
H -4.816608 1.348293 2.699341
H -4.535507 0.146799 4.027392
H -5.383732 3.452610 -2.682471
H -5.480046 3.012801 -0.926342
H -3.956721 3.719911 -1.608734
H -6.223871 -0.656324 1.170746
H -6.635667 -0.289996 -0.556941
H -7.407229 0.658397 0.776464


