%chk=000038575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038575

0 1
 O    3.176700       3.260500     -7.3299997E-02
 O    2.612200      -2.402100       1.449800    
 O   -4.419800     -0.8578000     -0.3372000    
 N    1.939300     -0.1957000     -0.2190000    
 C    2.751900      0.9163000      0.2327000    
 C    2.591600      -1.386400     -0.7267000    
 C   0.5323000     -0.1254000     -0.1527000    
 C    2.398500       2.169800     -0.5496000    
 C    2.191200      -2.593000      0.1050000    
 C  -8.2000002E-02  0.6346000      0.8427000    
 C  -0.2452000     -0.8157000      -1.082700    
 C   -2.250900      1.3900000E-02 -2.1400001E-02
 C   -1.473600      0.7041000      0.9084000    
 C   -1.636800     -0.7460000      -1.017000    
 C   -3.701700      8.6999997E-02  4.6500001E-02
 C   -4.383600       1.336000      0.5945000    
 H    3.821400      0.7117000      9.4800003E-02
 H    2.647300       1.080500       1.312000    
 H    3.681500      -1.276100     -0.6689000    
 H    2.362700      -1.545100      -1.786200    
 H    1.351600       2.465300     -0.4523000    
 H    2.604300       2.039400      -1.617900    
 H    2.700200      -3.484900     -0.2746000    
 H    1.119900      -2.808200      0.1041000    
 H   0.4852000       1.167800       1.599400    
 H   0.1925000      -1.401400      -1.885100    
 H   -1.926000       1.289400       1.704200    
 H   -2.226500      -1.283600      -1.755000    
 H    4.113000       3.031300     -0.2014000    
 H    2.154900      -1.614500       1.790500    
 H   -3.799600       2.230700      0.3628000    
 H   -4.515200       1.236800       1.674600    
 H   -5.360800       1.448300      0.1153000    


%chk=000038575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038575

0 1
O 3.617477 3.117411 0.263535
O 3.370095 -2.393359 1.095258
O -4.676145 -0.762784 -0.607546
N 1.782587 -0.192679 -0.168341
C 2.640467 0.834866 0.455833
C 2.465459 -1.260793 -0.929670
C 0.383422 -0.092631 -0.138175
C 2.855326 2.080400 -0.442874
C 2.593037 -2.582190 -0.138040
C -0.274351 0.997536 0.520770
C -0.447679 -1.084263 -0.760015
C -2.495705 0.095875 -0.058484
C -1.674918 1.079346 0.558094
C -1.842985 -0.982608 -0.719289
C -3.985832 0.144215 -0.044915
C -4.679160 1.309782 0.660531
H 3.618842 0.371744 0.684238
H 2.215129 1.164712 1.421110
H 3.484909 -0.907478 -1.165987
H 1.955411 -1.443217 -1.895308
H 1.891112 2.555370 -0.683511
H 3.346681 1.786896 -1.394821
H 3.166857 -3.315103 -0.730240
H 1.595001 -3.008363 0.086570
H 0.307421 1.790472 0.998718
H -0.001390 -1.939715 -1.274204
H -2.132422 1.931752 1.072468
H -2.471778 -1.742758 -1.195944
H 4.550985 2.813109 0.393305
H 2.814666 -1.886438 1.740529
H -4.389496 2.277640 0.210097
H -4.407827 1.347472 1.732209
H -5.768695 1.183283 0.570399


