%chk=000048534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048534

0 1
 O   -2.107000      0.5761000     -0.1002000    
 O   0.9238000      -1.619300       1.777400    
 O  -0.2042000       2.060400     -0.9129000    
 O    4.166400      0.7405000     -0.4529000    
 N    2.531400     -0.4998000      0.5836000    
 N    1.967900       1.338800     -0.7598000    
 C   0.1746000     -0.1561000     -5.2999998E-03
 C   -1.140700      7.6000001E-03  0.7701000    
 C  -5.3399999E-02  -1.099300      -1.200100    
 C    1.216800     -0.8160000      0.8922000    
 C   0.6010000       1.192700     -0.5761000    
 C  -0.9336000      0.9045000       1.973900    
 C  -0.6140000      -2.405200     -0.7442000    
 C    2.971200      0.5305000     -0.2388000    
 C   -3.357000      0.7579000      0.5524000    
 C   -4.340200       1.365100     -0.4255000    
 C   -1.802900      -2.878600      -1.133800    
 H   -1.510800     -0.9562000       1.141000    
 H   0.8928000      -1.299000      -1.720700    
 H  -0.7068000     -0.6312000      -1.948400    
 H  -0.9003000       1.964900       1.700100    
 H   -1.753900      0.7918000       2.692100    
 H  -2.6400000E-02  0.6744000       2.539700    
 H    3.251300      -1.025900       1.071100    
 H    2.272500       2.167800      -1.262400    
 H  -1.2000001E-03  -3.046000     -0.1169000    
 H   -3.736600     -0.2055000      0.9104000    
 H   -3.278000       1.452600       1.393000    
 H   -5.316400       1.517600      4.3299999E-02
 H   -3.971600       2.327500     -0.7962000    
 H   -4.465500      0.7155000      -1.298100    
 H   -2.144200      -3.851300     -0.7968000    
 H   -2.454700      -2.308800      -1.786900    


%chk=000048534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048534

0 1
O -2.133206 0.682124 0.025466
O 0.840688 -1.685549 1.766474
O 0.214456 2.286473 -0.887631
O 4.399004 0.333834 -0.422436
N 2.566036 -0.713502 0.584603
N 2.255990 1.229880 -0.710963
C 0.216838 -0.004158 0.065328
C -1.053071 0.281770 0.935238
C -0.180444 -0.878045 -1.213289
C 1.200440 -0.846794 0.899061
C 0.852631 1.274920 -0.513380
C -0.808204 1.333466 2.035289
C -0.785191 -2.225953 -0.883630
C 3.162336 0.283262 -0.210456
C -3.478438 0.444788 0.574882
C -4.482230 0.825727 -0.513076
C -2.047203 -2.586408 -1.225820
H -1.314171 -0.690073 1.405777
H 0.730025 -1.015377 -1.831567
H -0.902334 -0.264430 -1.776475
H -0.605590 2.321734 1.590771
H -1.696983 1.422497 2.683857
H 0.038105 1.037724 2.682867
H 3.213170 -1.361413 1.045712
H 2.670387 2.017879 -1.219742
H -0.142608 -2.949114 -0.361696
H -3.577910 -0.626099 0.861076
H -3.638287 1.063488 1.483758
H -5.516874 0.680711 -0.152401
H -4.353160 1.883314 -0.799727
H -4.334810 0.205091 -1.414291
H -2.436913 -3.586698 -1.005250
H -2.722182 -1.887070 -1.734031


