%chk=000105559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105559

0 1
 O   -1.148700      -2.306000      -1.324600    
 O   -2.583500     -0.7897000       2.963000    
 O   -1.527700      -2.275800       1.605400    
 N    2.274500      9.3800001E-02 -0.7198000    
 C    3.710200     -3.4899998E-02 -0.8644000    
 C    1.626600       1.227400     -0.2837000    
 C    1.366000     -0.8923000     -0.9973000    
 C   0.2587000      0.9456000     -0.2864000    
 C   0.1095000     -0.3952000     -0.7389000    
 C    4.373000     -0.5463000      0.4138000    
 C    5.886600     -0.6632000      0.2422000    
 C    2.141300       2.467900      0.1090000    
 C    1.784300      -2.224300      -1.486800    
 C  -0.6413000       1.949800      0.1223000    
 C   -1.110700      -1.133900     -0.9101000    
 C    1.229500       3.448500      0.5103000    
 C  -0.1407000       3.195500      0.5175000    
 C   -2.435300     -0.5134000     -0.6049000    
 C    6.557900      -1.133600       1.522700    
 C   -2.967500     -0.6155000      0.6599000    
 C   -3.075600      0.1477000      -1.629800    
 C   -4.205700     -2.5900001E-02  0.9148000    
 C   -4.313600      0.7379000      -1.375000    
 C   -4.878700      0.6508000     -0.1025000    
 C   -2.289100      -1.314900       1.743300    
 H    3.924000     -0.6855000      -1.718800    
 H    4.111600      0.9478000      -1.137600    
 H    3.957000      -1.522300      0.6921000    
 H    4.149500      0.1350000       1.244400    
 H    6.115900      -1.367800     -0.5656000    
 H    6.305300      0.3083000     -4.5299999E-02
 H    3.205800       2.675700      0.1123000    
 H    1.173700      -3.017600      -1.044700    
 H    1.678400      -2.277500      -2.575200    
 H    2.815600      -2.482000      -1.234000    
 H   -1.713900       1.820600      0.1521000    
 H    1.596500       4.422800      0.8226000    
 H  -0.8297000       3.974200      0.8343000    
 H    7.639800      -1.211500       1.377000    
 H    6.375200     -0.4313000       2.342400    
 H    6.183600      -2.117500       1.823000    
 H   -2.640600      0.2185000      -2.622200    
 H   -4.679300     -8.6700000E-02   1.891200    
 H   -4.837700       1.264400      -2.167200    
 H   -5.844100       1.107700      9.4899997E-02
 H   -2.122100      -1.265400       3.686300    


%chk=000105559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105559

0 1
O -1.234259 -2.066963 -2.025179
O -2.249234 -0.759625 3.010923
O -0.868189 -1.787612 1.458971
N 2.311976 0.121539 -0.853084
C 3.772901 -0.063514 -0.852411
C 1.657052 1.272076 -0.366388
C 1.364326 -0.824998 -1.242477
C 0.241619 1.042800 -0.453751
C 0.067697 -0.298950 -1.011923
C 4.320215 -0.564636 0.505955
C 5.857469 -0.719894 0.490278
C 2.212770 2.475651 0.114262
C 1.765436 -2.169859 -1.770508
C -0.632722 2.086520 -0.049859
C -1.168996 -1.034124 -1.274243
C 1.319450 3.490208 0.516453
C -0.087436 3.294884 0.430732
C -2.482063 -0.516731 -0.702608
C 6.410784 -1.237265 1.835652
C -2.813261 -0.506141 0.685415
C -3.443341 -0.055205 -1.634796
C -4.074153 -0.006635 1.109508
C -4.693396 0.442537 -1.207836
C -5.008042 0.474305 0.171170
C -1.875771 -1.077856 1.690257
H 4.035839 -0.779560 -1.651006
H 4.245025 0.901639 -1.116107
H 3.847716 -1.535484 0.753418
H 4.022290 0.142661 1.304316
H 6.150537 -1.416349 -0.321964
H 6.324971 0.256619 0.247959
H 3.295628 2.627875 0.175847
H 0.874490 -2.811913 -1.826511
H 2.177959 -2.096070 -2.796262
H 2.529710 -2.650347 -1.131787
H -1.717740 1.967894 -0.110364
H 1.713217 4.439537 0.895946
H -0.760145 4.100500 0.745183
H 7.510529 -1.341677 1.805825
H 6.158324 -0.545499 2.660871
H 5.983114 -2.226195 2.084829
H -3.198438 -0.091989 -2.701060
H -4.306705 -0.013369 2.177653
H -5.418414 0.800424 -1.947079
H -5.976802 0.857375 0.508850
H -1.597436 -1.186683 3.628928


