%chk=000019536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019536

0 1
 O    1.594000     -0.1395000      -1.473000    
 O   -1.345400       2.689800     -0.5698000    
 N  -0.1868000      0.7829000      0.2688000    
 N    3.156900     -0.7844000      0.1156000    
 C    1.024400      0.2487000      0.8228000    
 C   -1.341600     -0.1125000      0.1577000    
 C    1.935800     -0.2353000     -0.2912000    
 C  -0.3414000       2.156700     -9.0599999E-02
 C   -2.576500      0.4323000      0.3341000    
 C   -1.095500      -1.423100     -0.1147000    
 C    4.140200      -1.296000     -0.8359000    
 C    3.538000     -0.8867000       1.518700    
 C   -3.675900     -0.4197000      0.2279000    
 C   -2.195000      -2.274900     -0.2209000    
 C   0.8540000       3.035000      0.2003000    
 C   -3.485200      -1.773200     -4.9600001E-02
 H   0.7963000     -0.5690000       1.515200    
 H    1.547500       1.010800       1.404700    
 H   -2.773100       1.454200      0.6309000    
 H  -0.1129000      -1.851200     -0.2636000    
 H    4.313200      -2.356000     -0.6292000    
 H    5.071800     -0.7355000     -0.7165000    
 H    3.785200      -1.185300      -1.863600    
 H    3.565100      0.1131000       1.960500    
 H    4.525500      -1.346700       1.619700    
 H    2.804900      -1.500000       2.049700    
 H   -4.679800     -3.3599999E-02  0.3797000    
 H   -2.047200      -3.328900     -0.4382000    
 H    1.758200       2.635600     -0.2647000    
 H   0.9886000       3.141500       1.279800    
 H   0.6800000       4.031000     -0.2198000    
 H   -4.340900      -2.437200     -0.1285000    


%chk=000019536-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019536

0 1
O 1.841323 0.175195 -1.470051
O -1.380171 2.713160 -0.645308
N -0.230104 0.908489 0.312604
N 3.160589 -0.775419 0.200033
C 1.028019 0.369140 0.848933
C -1.342458 -0.008800 0.190318
C 2.035913 -0.088622 -0.244711
C -0.313742 2.239164 -0.159883
C -2.668131 0.409614 0.476024
C -1.103672 -1.357883 -0.179302
C 4.136313 -1.265981 -0.791549
C 3.426797 -1.141126 1.601434
C -3.729767 -0.516166 0.397757
C -2.171862 -2.278919 -0.244580
C 0.948886 3.092049 -0.047859
C -3.491341 -1.864642 0.043933
H 0.775740 -0.477303 1.510668
H 1.519299 1.133490 1.479007
H -2.862044 1.450126 0.740683
H -0.096148 -1.681070 -0.460089
H 4.221501 -2.368482 -0.740621
H 5.133817 -0.824043 -0.606930
H 3.787066 -0.973260 -1.793043
H 2.870492 -0.501840 2.302461
H 4.503473 -1.010833 1.815427
H 3.163115 -2.198882 1.803624
H -4.748821 -0.179747 0.619287
H -1.971655 -3.315329 -0.539016
H 1.783568 2.644785 -0.614285
H 1.265198 3.237604 1.002497
H 0.712249 4.076014 -0.477893
H -4.321044 -2.577580 -0.013271


