%chk=000085327.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085327

0 1
 O  -0.9038000       1.685900      -1.029000    
 O    1.798200       2.674400     -0.5477000    
 O    4.105400      0.4416000       1.517700    
 O   -3.617000       2.496900     -0.3740000    
 N   0.4520000      -3.409900     -0.4109000    
 C   0.7920000      -1.119400      0.4536000    
 C  -4.2599998E-02 -0.5813000     -0.7331000    
 C   0.3072000      0.8662000      -1.108700    
 C    1.455900       1.346100     -0.1772000    
 C   0.1999000      -2.538100      0.7602000    
 C    2.287300      -1.074100      2.8100001E-02
 C   0.7203000     -0.1668000       1.698900    
 C    2.661500      0.3756000     -0.3852000    
 C    1.007100       1.286900       1.292800    
 C  -1.0100000E-02  -1.518800      -1.959400    
 C   -1.423600     -0.4004000     -0.2386000    
 C   -1.335100      -2.464500       1.157900    
 C  -0.2773000      -2.989200      -1.610400    
 C   -2.097900      -1.288100      0.5830000    
 C   -1.875400      0.8715000     -0.5022000    
 C    3.875800      0.8311000      0.3738000    
 C   0.2498000      -4.827600     -0.1305000    
 C   -3.386600     -0.9283000      0.9747000    
 C   -3.141100       1.253800     -0.1157000    
 C   -3.912500      0.3267000      0.6017000    
 C   0.6963000       3.559700     -0.3964000    
 C    4.798600       1.785200     -0.3352000    
 C   -3.384300       3.504800      0.6121000    
 H   0.6413000      0.9477000      -2.151800    
 H   0.7512000      -2.956000       1.613300    
 H    2.485600      -1.735900     -0.8227000    
 H    2.912100      -1.472000      0.8363000    
 H    1.458800     -0.4886000       2.445300    
 H  -0.2396000     -0.2104000       2.222900    
 H    2.941000      0.3661000      -1.447500    
 H   9.2799999E-02   1.847500       1.500900    
 H    1.760000       1.730400       1.955400    
 H   0.9710000      -1.450700      -2.446700    
 H  -0.7413000      -1.198200      -2.713600    
 H   -1.372700      -2.368000       2.251600    
 H   -1.865400      -3.391100      0.9174000    
 H   -1.355900      -3.155000      -1.499400    
 H   3.7599999E-02  -3.598700      -2.466900    
 H   0.6108000      -5.433600     -0.9692000    
 H  -0.7997000      -5.086100      4.0399998E-02
 H   0.8296000      -5.137000      0.7460000    
 H   -3.971900      -1.583400       1.613900    
 H   -4.912600      0.5972000      0.9334000    
 H   0.1415000       3.649100      -1.334900    
 H    1.139200       4.553800     -0.2572000    
 H   4.7600001E-02   3.426900      0.4655000    
 H    5.061400       1.389200      -1.319300    
 H    4.332500       2.766600     -0.4341000    
 H    5.720100       1.893700      0.2445000    
 H   -3.914500       3.259000       1.537500    
 H   -3.769300       4.453500      0.2286000    
 H   -2.314700       3.614500      0.8105000    


%chk=000085327-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085327

0 1
O -1.020083 1.798572 -0.641732
O 1.951775 2.725579 -0.218573
O 4.172699 0.552506 1.564532
O -3.883147 2.508657 0.354703
N 0.404529 -3.357773 -0.576085
C 0.773139 -1.151719 0.514325
C -0.126324 -0.504083 -0.587706
C 0.253247 0.985432 -0.851512
C 1.423736 1.381508 0.087620
C 0.211546 -2.599631 0.695875
C 2.251664 -1.076968 0.063891
C 0.699105 -0.326222 1.835673
C 2.606692 0.405119 -0.306650
C 1.029831 1.181316 1.566416
C -0.093522 -1.328957 -1.907929
C -1.512754 -0.400560 -0.000957
C -1.295012 -2.604683 1.200035
C -0.415899 -2.817330 -1.684782
C -2.122314 -1.385808 0.787956
C -1.997773 0.910137 -0.113351
C 3.913231 0.873392 0.372544
C 0.297908 -4.819697 -0.437217
C -3.398983 -1.058319 1.322295
C -3.278417 1.240732 0.387602
C -3.973666 0.211697 1.083306
C 1.145382 3.874047 0.221739
C 4.859876 1.714642 -0.460642
C -3.598702 3.353015 -0.820782
H 0.545070 1.187494 -1.897265
H 0.820029 -3.119030 1.462684
H 2.434335 -1.753998 -0.786203
H 2.898550 -1.402916 0.898663
H 1.441473 -0.749260 2.537260
H -0.291202 -0.410320 2.310552
H 2.741624 0.513512 -1.401279
H 0.153457 1.811747 1.797731
H 1.866053 1.512486 2.205291
H 0.913183 -1.239988 -2.359411
H -0.817625 -0.893907 -2.623350
H -1.298532 -2.655496 2.307051
H -1.768848 -3.548581 0.861344
H -1.511535 -2.942415 -1.497457
H -0.182180 -3.390063 -2.602271
H 0.616998 -5.301373 -1.379923
H -0.733196 -5.189466 -0.206768
H 0.970463 -5.166599 0.367736
H -3.937920 -1.779260 1.948012
H -4.960753 0.464043 1.484523
H 0.130005 3.847342 -0.211247
H 1.690700 4.760044 -0.141767
H 1.074101 3.920446 1.325405
H 5.208583 1.138062 -1.339891
H 4.306962 2.592566 -0.840323
H 5.727761 2.032243 0.137944
H -2.522210 3.581072 -0.902674
H -4.177313 4.274521 -0.656649
H -3.939298 2.852892 -1.747913


