%chk=000123702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123702

1 1
 O   -1.465700      0.7743000     -0.1390000    
 O  -1.5500000E-02   1.677800       1.410600    
 O  -0.4808000      -3.242700     -0.4060000    
 O  -6.7500003E-02  -1.260800      -1.439700    
 N   -4.245700     -1.0100000E-02  9.1600001E-02
 C   -3.110800     -0.9660000      0.1658000    
 C   -1.886600     -0.2663000      0.7491000    
 C   -4.621200      0.4976000       1.490000    
 C   -5.482000     -0.6806000     -0.5217000    
 C   -3.879400       1.202000     -0.7750000    
 C  -0.7271000      -1.252300      0.8860000    
 C    1.868800       2.134700     -0.7670000    
 C    2.557100      0.7980000     -0.4730000    
 C   0.3618000       1.982400     -0.9733000    
 C    4.058000      0.9862000     -0.2434000    
 C  -0.3591000       1.471700      0.2547000    
 C    4.741700     -0.3427000      8.3099999E-02
 C  -0.3931000      -1.889500     -0.4412000    
 C    6.235100     -0.1501000      0.3452000    
 C    6.911800      -1.463600      0.7033000    
 H   -3.419700      -1.815100      0.7871000    
 H   -2.933000      -1.321200     -0.8560000    
 H   -2.083000      0.1505000       1.741300    
 H   -5.564000       1.048000       1.407700    
 H   -3.852800       1.176500       1.866100    
 H   -4.747400     -0.3664000       2.148900    
 H   -5.226200      -1.002600      -1.535400    
 H   -5.745200      -1.540800      0.1008000    
 H   -6.303500      4.1499998E-02 -0.5431000    
 H   -3.335800       1.946400     -0.1887000    
 H   -3.353000      0.8622000      -1.671800    
 H   -4.816900       1.678600      -1.084200    
 H   0.1924000     -0.8117000       1.279800    
 H   -1.012100      -2.041100       1.593600    
 H    2.057100       2.831800      5.8800001E-02
 H    2.306400       2.580300      -1.668400    
 H    2.120400      0.3317000      0.4160000    
 H    2.398300      0.1110000      -1.312500    
 H  -7.5999998E-02   2.953700      -1.228700    
 H   0.1828000       1.305800      -1.815600    
 H    4.515500       1.426100      -1.137900    
 H    4.216500       1.691500      0.5815000    
 H    4.269900     -0.7902000      0.9665000    
 H    4.600400      -1.043900     -0.7483000    
 H    6.717200      0.2739000     -0.5433000    
 H    6.380900      0.5629000       1.165100    
 H    6.811200      -2.190700     -0.1088000    
 H    6.474400      -1.896400       1.608600    
 H    7.979000      -1.302900      0.8852000    
 H  -0.2575000      -3.646300      -1.271700    


%chk=000123702-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123702

1 1
O -1.242130 0.676467 0.144837
O -0.497583 1.708772 2.104078
O 1.116372 -2.449792 0.697725
O -0.675944 -2.438953 -0.775088
N -4.134293 -0.020404 -0.368494
C -3.046705 -0.981813 0.176895
C -1.915284 -0.342947 0.997233
C -4.519343 1.050643 0.648391
C -5.370009 -0.862765 -0.694900
C -3.648924 0.648535 -1.661189
C -0.889620 -1.399504 1.469031
C 1.810158 2.471239 0.144801
C 2.389064 1.071136 -0.154344
C 0.271751 2.570888 -0.087780
C 3.926008 1.013829 -0.007610
C -0.484496 1.671672 0.859028
C 4.503709 -0.397171 -0.263413
C -0.180364 -2.131014 0.334835
C 6.042528 -0.459572 -0.130846
C 6.611567 -1.871686 -0.385759
H -3.569633 -1.707765 0.825010
H -2.625409 -1.519389 -0.688883
H -2.294736 0.163506 1.904857
H -5.382868 1.610208 0.256927
H -3.673045 1.736060 0.795557
H -4.790680 0.570659 1.601290
H -5.069927 -1.700282 -1.342774
H -5.804149 -1.248865 0.239990
H -6.105571 -0.232257 -1.217313
H -2.689795 1.141485 -1.457634
H -3.510637 -0.129407 -2.427512
H -4.411376 1.372128 -1.989216
H -0.142330 -0.912356 2.115115
H -1.395951 -2.158727 2.098321
H 2.034422 2.760568 1.188985
H 2.293364 3.222440 -0.508359
H 1.940065 0.322722 0.532138
H 2.108205 0.765272 -1.184203
H -0.050812 3.612090 0.104775
H 0.023580 2.310018 -1.130266
H 4.390728 1.733628 -0.712535
H 4.211282 1.346512 1.011506
H 4.047117 -1.114202 0.452331
H 4.213496 -0.735540 -1.281000
H 6.498243 0.257546 -0.843112
H 6.334778 -0.118851 0.882848
H 6.359572 -2.224849 -1.403754
H 6.202415 -2.603060 0.336918
H 7.711976 -1.885865 -0.289253
H 1.577313 -2.957888 -0.025483


