%chk=000058207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058207

0 1
 O    5.803500      -3.666200       1.148800    
 O   -3.542800     -0.2551000     -8.2800001E-02
 N    5.437900     -0.3573000     -0.4369000    
 C    4.737900      0.8417000      8.3999997E-03
 C    3.228500      0.6049000      1.0900000E-02
 C    2.476700       1.846900      0.4965000    
 C    5.495200      -1.349900      0.6379000    
 C    6.788500     -2.5900001E-02 -0.8941000    
 C   0.9837000       1.641200      0.4692000    
 C    5.738200      -2.740000      7.2200000E-02
 C    6.750200      0.9538000      -2.054700    
 C   0.3303000       1.126000       1.588800    
 C   0.2554000       1.965500     -0.6754000    
 C   -1.779400       1.259700      0.4193000    
 C   -1.051100      0.9353000       1.563800    
 C   -1.126100       1.774800     -0.7004000    
 C   -3.256300       1.054600      0.3925000    
 C   -4.865300     -0.5918000     -0.2045000    
 C   -5.854200      0.3327000      0.1316000    
 C   -5.222800      -1.859500     -0.6634000    
 C   -7.200700     -1.0500000E-02  8.8000000E-03
 C   -6.569200      -2.202700     -0.7864000    
 C   -7.558100      -1.278100     -0.4502000    
 H    4.891600       1.696800     -0.6544000    
 H    5.084700       1.158100       1.001200    
 H    2.898000      0.3475000      -1.004500    
 H    2.948800     -0.2400000      0.6492000    
 H    2.792200       2.104400       1.515800    
 H    2.734700       2.714100     -0.1249000    
 H    4.562200      -1.404300       1.209700    
 H    6.262300      -1.100000       1.383900    
 H    7.298100     -0.9246000      -1.256700    
 H    7.402900      0.3901000     -8.5400000E-02
 H    6.681700      -2.812400     -0.4748000    
 H    4.921200      -3.040200     -0.5928000    
 H    5.987400      0.6850000      -2.793500    
 H    6.592500       1.987700      -1.734000    
 H    7.717200      0.9410000      -2.571100    
 H   0.8873000      0.8672000       2.485500    
 H   0.7536000       2.365100      -1.554700    
 H   -1.547700      0.5303000       2.441600    
 H   -1.681300       2.028600      -1.599600    
 H   -3.649800       1.193800       1.408400    
 H   -3.695000       1.815500     -0.2670000    
 H    5.945700      -4.546300      0.7603000    
 H   -5.652200       1.333100      0.4979000    
 H   -4.456700      -2.583800     -0.9265000    
 H   -7.971700      0.7083000      0.2712000    
 H   -6.847500      -3.189900      -1.143700    
 H   -8.606400      -1.545500     -0.5457000    


%chk=000058207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058207

0 1
O 5.607629 -3.893626 0.459578
O -3.677412 -0.253241 0.121955
N 5.653660 -0.224246 -0.271348
C 4.849870 0.867078 0.330458
C 3.335438 0.689970 0.089762
C 2.498119 1.801507 0.782155
C 5.623538 -1.485390 0.511570
C 7.030152 0.180681 -0.660907
C 1.006090 1.641579 0.534612
C 5.534393 -2.706896 -0.413235
C 7.067204 1.048104 -1.933644
C 0.213647 0.809537 1.368349
C 0.374071 2.276257 -0.564361
C -1.785297 1.261907 0.020909
C -1.162354 0.622757 1.120994
C -1.001261 2.084967 -0.822529
C -3.273161 1.120825 -0.226571
C -5.045130 -0.566768 0.043534
C -6.053338 0.331334 -0.389230
C -5.383664 -1.888314 0.430127
C -7.398788 -0.105695 -0.426218
C -6.727373 -2.307162 0.386455
C -7.745666 -1.418515 -0.041007
H 5.165998 1.824018 -0.126313
H 5.041530 0.964845 1.430509
H 3.143932 0.693729 -0.999640
H 3.001513 -0.298040 0.463016
H 2.707166 1.777362 1.870464
H 2.840819 2.788614 0.412754
H 4.740997 -1.491250 1.175489
H 6.517584 -1.598015 1.167764
H 7.608188 -0.743494 -0.849461
H 7.553062 0.712059 0.174869
H 6.373470 -2.699670 -1.141287
H 4.579689 -2.672046 -0.976706
H 6.599899 0.507107 -2.774961
H 6.523810 2.000706 -1.798797
H 8.111279 1.294654 -2.203404
H 0.681706 0.306088 2.223793
H 0.965485 2.920594 -1.226674
H -1.759995 -0.029806 1.765315
H -1.464628 2.580369 -1.685364
H -3.848709 1.830740 0.406792
H -3.514889 1.329940 -1.288758
H 5.488189 -4.710737 -0.085577
H -5.811285 1.352389 -0.698315
H -4.583592 -2.560383 0.755917
H -8.176460 0.590440 -0.760811
H -6.981741 -3.329849 0.686736
H -8.789586 -1.747319 -0.073457


