%chk=000010358.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010358

0 1
 O   -4.619800       1.960500       1.125500    
 O   -3.766700      -1.941700     -0.4069000    
 O   -1.361500     -0.8667000      -1.186700    
 N   -2.222100      0.5342000      0.3820000    
 N   -1.261800     -0.1559000     -0.1168000    
 C    4.829100     -0.2664000      0.5973000    
 C    3.457000     -0.2665000     -8.5800000E-02
 C    5.917900      0.2383000     -0.3531000    
 C   -3.477200      0.4567000     -0.3715000    
 C   -4.231500       1.787500     -0.2379000    
 C    2.336300     -0.7894000      0.8186000    
 C    7.317300      0.2235000      0.2660000    
 C   -4.276700     -0.7344000      0.1498000    
 C   -3.457500       3.021800     -0.6878000    
 C   0.9886000     -0.7674000      0.1557000    
 C    8.406200      0.7000000     -0.6827000    
 C  -4.7899999E-02 -6.7900002E-02  0.6288000    
 C   -4.529700      -3.066300      5.5000000E-03
 H    4.796800      0.3677000       1.491200    
 H    5.073000      -1.282900      0.9285000    
 H    3.216200      0.7546000     -0.4085000    
 H    3.504900     -0.8806000     -0.9944000    
 H    5.923000     -0.3816000      -1.258300    
 H    5.676600       1.260200     -0.6710000    
 H   -3.294500      0.3292000      -1.447200    
 H   -5.155200       1.724000     -0.8261000    
 H    2.558500      -1.823500       1.109400    
 H    2.317600     -0.2018000       1.745000    
 H    7.557500     -0.7943000      0.5955000    
 H    7.324400      0.8570000       1.161000    
 H   -4.234200     -0.7905000       1.244600    
 H   -5.326200     -0.6331000     -0.1524000    
 H   -3.120700       2.920300      -1.723700    
 H   -4.087200       3.915000     -0.6126000    
 H   -2.587000       3.201100     -4.8000000E-02
 H   0.9130000      -1.376700     -0.7409000    
 H    8.219300       1.729100      -1.005400    
 H    8.454000      6.4300001E-02  -1.572500    
 H    9.382000      0.6691000     -0.1883000    
 H   1.6000000E-03  0.5422000       1.523000    
 H   -5.141600       2.779200       1.181000    
 H   -4.090500      -3.962300     -0.4413000    
 H   -5.564400      -2.976800     -0.3394000    
 H   -4.502500      -3.170700       1.094500    


%chk=000010358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000010358

0 1
O -4.404811 2.089218 0.932068
O -4.502332 -2.036537 0.152127
O -1.335143 -0.216065 -1.808811
N -2.317640 -0.063841 0.345937
N -1.305586 -0.256654 -0.486806
C 4.912747 -0.413418 0.255478
C 3.530510 -0.076229 -0.346596
C 6.022167 0.567434 -0.186103
C -3.628347 0.153274 -0.325091
C -4.003398 1.658113 -0.425049
C 2.427796 -1.077386 0.097277
C 7.402969 0.242004 0.428124
C -4.678763 -0.618338 0.482759
C -2.883465 2.543751 -0.992216
C 1.089188 -0.773280 -0.524885
C 8.507407 1.223998 -0.018837
C -0.042807 -0.544783 0.181647
C -5.349502 -2.898399 0.969487
H 4.841140 -0.410826 1.363258
H 5.198446 -1.446243 -0.035366
H 3.233344 0.948781 -0.048226
H 3.598418 -0.073982 -1.453722
H 6.103343 0.557417 -1.293212
H 5.732518 1.601791 0.094413
H -3.596993 -0.244518 -1.359227
H -4.892160 1.709649 -1.094168
H 2.743750 -2.097190 -0.209152
H 2.350935 -1.084874 1.201475
H 7.690929 -0.792375 0.149465
H 7.321171 0.254076 1.534304
H -4.528746 -0.438434 1.565420
H -5.700977 -0.279910 0.205137
H -2.531982 2.157146 -1.964304
H -3.242098 3.580980 -1.137619
H -2.024264 2.566753 -0.298740
H 1.021812 -0.728169 -1.621040
H 8.259261 2.260986 0.276799
H 8.629364 1.209706 -1.118438
H 9.483798 0.968617 0.432464
H -0.135534 -0.558299 1.269095
H -4.496582 3.075131 0.936258
H -5.133595 -3.932620 0.657584
H -6.429034 -2.684606 0.809496
H -5.122853 -2.783750 2.051236


