%chk=000097177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097177

0 1
 O   0.5534000     -0.1997000     -0.2417000    
 O  -0.6376000       1.778400      9.2600003E-02
 O    4.003200       1.468300       1.237700    
 O    1.801400       3.189000      0.3079000    
 O    4.133100     -0.9347000     -0.3922000    
 O    2.518400      -3.016000     -0.9724000    
 O   0.4460000      -2.744500     -6.2600002E-02
 N   -3.602000       3.128700     -0.8503000    
 C    3.057500       1.130500      0.2220000    
 C    1.711900       1.783400      0.5398000    
 C    2.940400     -0.3932000      0.1727000    
 C   0.6006000       1.221100     -0.3469000    
 C    1.756000     -0.8162000     -0.6873000    
 C    1.473500      -2.275200     -0.5288000    
 C   -1.724800       1.294300     -0.6805000    
 C   -2.239800      1.3500000E-02 -6.6299997E-02
 C   -2.172100     -0.1553000       1.306900    
 C   -2.769400     -0.9675000     -0.8885000    
 C   -2.774800       2.318500     -0.7739000    
 C   -2.647100      -1.338000       1.873800    
 C   -3.244600      -2.150200     -0.3216000    
 C   -3.183400      -2.335400       1.059600    
 H    3.458900       1.527200     -0.7188000    
 H    1.460900       1.647100       1.599000    
 H    2.852600     -0.7933000       1.190400    
 H   0.7651000       1.519800      -1.391500    
 H    1.902400     -0.6108000      -1.755000    
 H    4.842200       1.031600       1.011100    
 H    2.527300       3.528400      0.8591000    
 H    4.223000     -0.5879000      -1.296200    
 H   -1.384800       1.093600      -1.706600    
 H    2.352900      -3.977900     -0.8753000    
 H   -1.770500      0.6112000       1.963200    
 H   -2.821800     -0.8334000      -1.965000    
 H   -2.601700      -1.481400       2.949500    
 H   -3.661900      -2.927000     -0.9556000    
 H   -3.553500      -3.256100       1.500900    


%chk=000097177-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097177

0 1
O 1.157480 -0.545087 -0.779670
O -0.495349 0.473306 0.517505
O 4.114624 1.436581 1.401505
O 1.439475 2.446986 1.442769
O 4.859709 0.139199 -1.034165
O 3.983187 -1.942148 -2.572570
O 1.750909 -2.592776 -2.521845
N -2.176159 2.241026 -1.963369
C 3.185523 1.156107 0.305713
C 1.784884 1.121635 0.943012
C 3.560973 -0.141280 -0.425878
C 0.751824 0.736121 -0.124499
C 2.441987 -0.445809 -1.469112
C 2.621097 -1.764500 -2.220218
C -1.605022 0.121856 -0.432704
C -2.766357 -0.382988 0.404179
C -3.721217 0.503735 0.957103
C -2.856383 -1.770576 0.671482
C -1.939568 1.298800 -1.271188
C -4.760730 0.003467 1.770710
C -3.896305 -2.269988 1.485005
C -4.850684 -1.382963 2.035756
H 3.219275 1.982166 -0.440025
H 1.765964 0.361611 1.751041
H 3.620676 -0.984494 0.293771
H 0.669827 1.526659 -0.906688
H 2.442333 0.377767 -2.222041
H 5.031041 1.450151 1.022619
H 2.179469 2.733585 2.039211
H 5.104739 -0.634850 -1.608905
H -1.231476 -0.678528 -1.100935
H 4.088073 -2.786143 -3.089508
H -3.651361 1.578111 0.752158
H -2.110060 -2.453993 0.249238
H -5.498567 0.691954 2.196485
H -3.963066 -3.344232 1.687935
H -5.659865 -1.769568 2.665325


