%chk=000045302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045302

0 1
 O   -1.513200       1.618700      -1.955600    
 O   -1.402100     -0.5105000      -2.830300    
 N    3.523100     -0.4971000      9.4999999E-02
 C  -0.7614000     -0.1606000     -0.4810000    
 C   0.6613000     -0.7051000     -0.5649000    
 C  -0.8256000       1.156000      0.2152000    
 C    1.607300      0.3091000      -1.204000    
 C   -1.688800      -1.172000      0.1109000    
 C   -1.253500      0.2501000      -1.882700    
 C    3.035900     -0.2300000      -1.253200    
 C   -1.258000       2.111000     -0.6882000    
 C  -0.5279000       1.502400       1.522800    
 C   -3.060000     -0.9256000      0.1374000    
 C   -1.179600      -2.358400      0.6352000    
 C   -1.414700       3.438100     -0.3341000    
 C    3.517200      0.7274000      0.8972000    
 C    4.869800      -1.069600      5.2499998E-02
 C  -0.6794000       2.837800       1.904600    
 C   -1.120500       3.799700      0.9814000    
 C   -3.925700      -1.869400      0.6903000    
 C   -2.045100      -3.302400       1.187900    
 C    3.959900      0.4511000       2.324000    
 C    4.899200      -2.342800     -0.7759000    
 C   -3.418200      -3.057800       1.215500    
 H    1.037900     -0.9280000      0.4409000    
 H   0.7013000      -1.626400      -1.162700    
 H    1.306400      0.4718000      -2.247600    
 H    1.570900       1.301500     -0.7494000    
 H    2.999900      -1.138500      -1.863400    
 H    3.679100      0.4886000      -1.777900    
 H  -0.1840000      0.7621000       2.237200    
 H   -3.483900     -8.6000003E-03 -0.2626000    
 H  -0.1293000      -2.622700      0.6544000    
 H   -1.754500       4.177900      -1.050000    
 H    4.148600       1.509500      0.4571000    
 H    2.509800       1.137200      0.9987000    
 H    5.605800     -0.3574000     -0.3414000    
 H    5.195300      -1.362400       1.055800    
 H  -0.4527000       3.136300       2.924500    
 H   -1.232000       4.833900       1.295300    
 H   -4.994700      -1.679000      0.7124000    
 H   -1.651300      -4.227900       1.597800    
 H    3.729400       1.318000       2.954000    
 H    3.435700     -0.4103000       2.752100    
 H    5.039000      0.2881000       2.404100    
 H    5.837600      -2.877900     -0.5897000    
 H    4.866000      -2.144300      -1.851700    
 H    4.081100      -3.021400     -0.5106000    
 H   -4.092100      -3.792500       1.646200    


%chk=000045302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045302

0 1
O -1.706560 1.616954 -1.922836
O -1.381792 -0.441436 -2.980657
N 3.698611 -0.233692 0.035640
C -0.718133 -0.167246 -0.551720
C 0.768547 -0.600269 -0.751206
C -0.848291 1.141691 0.217367
C 1.695153 0.492618 -1.322305
C -1.604423 -1.290649 0.042564
C -1.289797 0.229664 -1.950681
C 3.169647 0.025608 -1.331658
C -1.416694 2.122148 -0.621457
C -0.501960 1.482977 1.536007
C -2.890964 -0.964663 0.549065
C -1.194818 -2.646489 0.060829
C -1.666578 3.439094 -0.217185
C 4.090268 1.020370 0.737007
C 4.773054 -1.263752 0.054798
C -0.736836 2.809091 1.980687
C -1.312055 3.772495 1.114616
C -3.742610 -1.965010 1.061556
C -2.045686 -3.649402 0.579222
C 4.037335 0.895245 2.271756
C 4.233250 -2.698661 -0.100914
C -3.322923 -3.315326 1.079771
H 1.179651 -0.930673 0.221213
H 0.784432 -1.467298 -1.439255
H 1.402402 0.747311 -2.360996
H 1.603393 1.420984 -0.727106
H 3.238196 -0.913040 -1.912714
H 3.792787 0.779889 -1.873514
H -0.067066 0.736382 2.209463
H -3.226441 0.078974 0.549410
H -0.213341 -2.934808 -0.324979
H -2.112143 4.168322 -0.899146
H 5.108409 1.361271 0.418443
H 3.386157 1.814555 0.427825
H 5.544692 -1.062458 -0.731696
H 5.293807 -1.190270 1.026911
H -0.473865 3.092524 3.005318
H -1.488542 4.791075 1.476766
H -4.732109 -1.692038 1.444971
H -1.709801 -4.692477 0.586631
H 4.324993 1.851551 2.747465
H 3.014853 0.632634 2.596072
H 4.723552 0.115031 2.647847
H 5.061467 -3.430342 -0.055593
H 3.714165 -2.842345 -1.065969
H 3.516762 -2.924057 0.708560
H -3.982854 -4.094356 1.477307


