%chk=000131693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131693

0 1
 O   -2.924000      0.1186000      -1.189700    
 O   -2.921100      -2.647800      0.2274000    
 O   -4.537900      -1.066600       1.788900    
 O   -5.192400       1.750000      -1.552900    
 O    3.187300      -2.338200     -0.5306000    
 N    3.233100     -0.1391000      0.1974000    
 N  -0.7488000      0.1967000     -0.2587000    
 N    1.191800      -1.266700     -0.4591000    
 N   0.2845000       2.063800      0.5182000    
 N    3.190000       2.187300      0.9646000    
 C    4.677400     -0.1897000      0.3790000    
 C    5.545000      0.8191000     -0.2770000    
 C    5.552200     -0.6069000     -0.7443000    
 C   -1.851400     -0.6619000     -0.6244000    
 C   -2.417800      -1.367200      0.6030000    
 C   -3.539000     -0.4349000       1.017400    
 C   -4.069000      4.1900001E-02 -0.3238000    
 C    2.559200       1.057500      0.4990000    
 C   0.5770000     -0.1725000     -0.1894000    
 C    1.232900       1.064900      0.3134000    
 C   -4.748200       1.398300     -0.2543000    
 C    2.565700      -1.303400     -0.2777000    
 C  -0.8466000       1.496600      0.1735000    
 H    4.958200     -0.5191000       1.374200    
 H    6.411600       1.173800      0.2678000    
 H    5.122800       1.546200     -0.9600000    
 H    5.120600     -0.8061000      -1.717600    
 H    6.422600      -1.208600     -0.5127000    
 H   -1.533400      -1.375300      -1.393000    
 H   -1.685600      -1.530400       1.400200    
 H   -3.134400      0.4055000       1.593400    
 H   -4.759900     -0.6882000     -0.7643000    
 H   -4.061500       2.179000      8.3700001E-02
 H   -5.612500       1.367700      0.4164000    
 H   -1.831000       1.976900      0.2015000    
 H   -3.379200      -3.016500       1.001900    
 H   -4.109300      -1.421900       2.586200    
 H    4.152700       2.145900       1.268600    
 H    2.640300       3.012000       1.174400    
 H   -5.628700       2.616200      -1.482000    


%chk=000131693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131693

0 1
O -3.030226 0.850607 -0.393014
O -3.526918 -1.991309 -1.800252
O -3.612285 -2.518434 0.797770
O -4.189642 1.591863 2.283396
O 1.554258 -0.631953 2.243788
N 2.495688 0.660632 0.490728
N -0.982053 0.629081 -1.630582
N 0.160962 -0.180270 0.406646
N 0.689261 1.932422 -2.527121
N 3.363313 2.200153 -1.146759
C 3.747763 0.710164 1.239174
C 5.069360 0.258992 0.563433
C 4.417677 -0.589961 1.658748
C -2.342215 0.098760 -1.452101
C -2.408641 -1.400410 -1.071973
C -2.714287 -1.398287 0.457130
C -3.472961 -0.072767 0.689532
C 2.359488 1.405698 -0.670479
C 0.105084 0.513152 -0.749677
C 1.121680 1.315463 -1.334497
C -3.182316 0.548898 2.048379
C 1.346416 -0.109228 1.115787
C -0.571037 1.502032 -2.664540
H 3.801059 1.540095 1.953272
H 5.981068 0.817160 0.800040
H 5.015244 -0.126886 -0.459274
H 3.925364 -1.517555 1.361619
H 4.866379 -0.615942 2.654148
H -2.875669 0.251413 -2.407170
H -1.469425 -1.931116 -1.314805
H -1.767048 -1.428159 1.021725
H -4.561924 -0.242039 0.584107
H -2.150093 0.953171 2.047278
H -3.262785 -0.247797 2.820263
H -1.241804 1.773403 -3.477139
H -4.021083 -2.550456 -1.133757
H -3.087451 -3.260685 1.186603
H 4.271523 2.248127 -0.692629
H 3.179883 2.715877 -2.007313
H -3.908407 2.152992 3.048118


