%chk=000057831.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057831

0 1
 O    3.076300      -1.209700       1.240600    
 O  -0.5764000      0.8079000      0.3321000    
 N   -4.786800      0.6413000     -9.3599997E-02
 N    5.346400       1.762300     -0.4122000    
 C  -0.1647000     -0.8184000      -1.359200    
 C   4.2700000E-02  -2.196600     -0.6858000    
 C    1.157900     -8.2099997E-02  -1.681000    
 C   0.9011000      -2.144600      0.5957000    
 C    2.171100     -0.2713000     -0.6067000    
 C   -5.614500       1.540400      0.7097000    
 C   -5.260300     -0.7037000      0.2327000    
 C   -3.365500      0.8093000      0.1711000    
 C   -7.005100      0.9394000      0.5691000    
 C   -6.772400     -0.5361000      0.2591000    
 C   -1.052300      3.5000000E-02 -0.4981000    
 C   -2.547200     -0.1212000     -0.7179000    
 C    2.029200      -1.216400      0.3835000    
 C    3.409300      0.3715000     -0.3532000    
 C    3.925200     -0.2387000      0.7898000    
 C    4.156500       1.390000     -0.9474000    
 C    5.135300      0.1101000       1.369700    
 C    5.794000       1.131300      0.7018000    
 H  -0.6895000     -0.9639000      -2.312200    
 H   0.5419000      -2.853200      -1.411500    
 H  -0.9186000      -2.668400     -0.4515000    
 H   0.9809000      0.9864000      -1.852400    
 H    1.571800     -0.4941000      -2.610200    
 H    1.259900      -3.148800      0.8444000    
 H   0.2933000      -1.791200       1.436300    
 H   -5.582000       2.571000      0.3425000    
 H   -5.314200       1.535600       1.765500    
 H   -4.906900      -1.035500       1.217500    
 H   -4.978100      -1.451400     -0.5147000    
 H   -3.128400      0.6252000       1.227500    
 H   -3.076000       1.846500     -4.1200001E-02
 H   -7.551000       1.410000     -0.2571000    
 H   -7.595200       1.074100       1.481200    
 H   -7.234800      -1.185500       1.009400    
 H   -7.210100     -0.7832000     -0.7153000    
 H   -2.782200      -1.170700     -0.5156000    
 H   -2.757000      8.9900002E-02  -1.773000    
 H    3.840400       1.922400      -1.836200    
 H    5.527300     -0.3682000       2.256200    
 H    6.753300       1.488200       1.065900    


%chk=000057831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057831

0 1
O 3.046727 -1.071621 1.411233
O -0.601505 1.201483 -0.040550
N -4.822642 0.544833 0.038048
N 5.606463 1.598218 -0.558029
C -0.115060 -0.746450 -1.447480
C 0.032053 -2.093387 -0.655379
C 1.268407 -0.104986 -1.760905
C 0.766140 -1.921560 0.703412
C 2.238851 -0.278930 -0.620290
C -5.659454 1.413671 0.907868
C -5.426409 -0.810530 0.153625
C -3.377564 0.617880 0.321329
C -7.098699 0.969994 0.563411
C -6.960157 -0.551558 0.219400
C -1.047858 0.213004 -0.682380
C -2.547576 -0.077455 -0.772154
C 1.981957 -1.093161 0.459882
C 3.545580 0.317669 -0.385592
C 4.002916 -0.192460 0.867655
C 4.397436 1.224117 -1.065254
C 5.236075 0.167509 1.422181
C 6.000812 1.076877 0.650515
H -0.624014 -0.994307 -2.401526
H 0.606875 -2.794291 -1.289777
H -0.961270 -2.548100 -0.486824
H 1.129499 0.972685 -1.969987
H 1.681908 -0.560693 -2.683104
H 1.036150 -2.910593 1.118799
H 0.106751 -1.431208 1.447823
H -5.466220 2.479170 0.691034
H -5.448504 1.239465 1.995017
H -5.081079 -1.325669 1.088243
H -5.140104 -1.445557 -0.703859
H -3.124005 0.172986 1.319831
H -3.075338 1.679324 0.362349
H -7.461197 1.527963 -0.316752
H -7.798062 1.155345 1.396993
H -7.431339 -1.191181 0.986073
H -7.445093 -0.778188 -0.745176
H -2.719390 -1.170666 -0.787755
H -2.897533 0.295106 -1.759501
H 4.119157 1.665204 -2.029009
H 5.591584 -0.217126 2.381069
H 6.979328 1.412071 1.010798


