%chk=000157658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157658

0 1
 O   0.7081000      -3.226800     -0.6729000    
 O    2.234400      0.2946000       1.421900    
 O    4.483800      0.5593000      0.8304000    
 N    1.811600      -1.156200     -0.9442000    
 C   -4.349000      0.4586000      0.5543000    
 C   -2.997500     -0.1975000      0.2266000    
 C   -5.499100     -0.4598000      8.7200001E-02
 C   -4.457000       1.816800     -0.1722000    
 C   -4.564000      0.7288000       2.060700    
 C   -2.711000     -0.4771000      -1.086000    
 C   -2.138900     -0.4727000       1.261100    
 C  -0.5855000      -1.366200     -0.3592000    
 C   -1.484700      -1.071400      -1.384000    
 C  -0.9125000      -1.066800      0.9633000    
 C   0.6925000      -1.987500     -0.6691000    
 C    1.662500      0.2868000     -0.9077000    
 C    3.120500      -1.746800      -1.265900    
 C    1.882300      0.9402000      0.2740000    
 C    1.307700      0.9125000      -2.072500    
 C    1.735900       2.327200      0.2934000    
 C    1.161200       2.299600      -2.053000    
 C    1.375400       3.007000     -0.8701000    
 C    3.620100      0.1587000       1.599400    
 C    3.903300     -0.5611000       2.884500    
 H   -6.474900     -3.3700000E-02  0.3486000    
 H   -5.499200     -0.6112000     -0.9977000    
 H   -5.430900      -1.448000      0.5576000    
 H   -4.436900       1.710800      -1.262300    
 H   -5.394900       2.325700      8.0300003E-02
 H   -3.631600       2.481600      0.1092000    
 H   -5.541000       1.196400       2.236100    
 H   -4.550300     -0.1958000       2.649700    
 H   -3.811900       1.416000       2.466000    
 H   -3.394200     -0.2570000      -1.899000    
 H   -2.340900     -0.2631000       2.303600    
 H   -1.241300      -1.302200      -2.418000    
 H  -0.2216000      -1.296900       1.770400    
 H    3.764100      -1.010600      -1.754800    
 H    2.973100      -2.606900      -1.925400    
 H    3.578400      -2.095100     -0.3362000    
 H    1.142700      0.3649000      -2.994900    
 H    1.899700       2.884900       1.211600    
 H   0.8806000       2.828800      -2.958900    
 H    1.260900       4.086900     -0.8548000    
 H    3.501000      1.0900000E-02   3.724200    
 H    4.984600     -0.6602000       3.014300    
 H    3.461800      -1.560200       2.851600    


%chk=000157658-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157658

0 1
O 0.557270 -2.905084 -1.807301
O 3.069551 -0.060748 1.137881
O 4.016922 1.345273 2.782032
N 1.779060 -1.058568 -1.076607
C -4.637060 0.407693 0.546081
C -3.252418 -0.120031 0.102951
C -5.590795 -0.800509 0.795920
C -5.230581 1.305781 -0.581810
C -4.562729 1.247998 1.846582
C -3.138037 -0.899326 -1.083143
C -2.063836 0.124233 0.837712
C -0.711661 -1.121194 -0.790681
C -1.898030 -1.400281 -1.517255
C -0.812831 -0.362830 0.400334
C 0.567632 -1.750732 -1.270838
C 1.867388 0.364425 -0.883313
C 3.043211 -1.765326 -1.392867
C 2.572532 0.918450 0.225347
C 1.298476 1.247806 -1.830523
C 2.716327 2.316607 0.375808
C 1.414788 2.645658 -1.679917
C 2.129992 3.173827 -0.583019
C 3.745466 0.206974 2.353901
C 4.073488 -1.109029 3.022294
H -6.591974 -0.439371 1.098060
H -5.712439 -1.418918 -0.111113
H -5.199921 -1.452189 1.598619
H -5.349620 0.749072 -1.528403
H -6.226524 1.683246 -0.282687
H -4.575335 2.173964 -0.778577
H -5.574346 1.604678 2.113718
H -4.182337 0.654801 2.698635
H -3.915685 2.136085 1.722692
H -4.033442 -1.126106 -1.673160
H -2.103004 0.701057 1.766019
H -1.827456 -2.027376 -2.412102
H 0.078898 -0.170051 1.004706
H 3.507655 -1.343063 -2.303349
H 2.798173 -2.822672 -1.575328
H 3.745155 -1.673999 -0.547999
H 0.763655 0.820246 -2.684865
H 3.260559 2.720548 1.229570
H 0.961653 3.313527 -2.419702
H 2.237167 4.257123 -0.463392
H 3.157193 -1.707821 3.160343
H 4.549652 -0.918294 3.994540
H 4.755597 -1.699355 2.385410


