%chk=000047548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047548

0 1
 O   -1.210200     -0.9881000       1.201100    
 O   -1.215100     -0.9871000      -1.209300    
 N    2.832000     -0.6525000      8.8000000E-03
 N    5.694400       1.734400     -1.7700000E-02
 C  -0.8231000      -1.691300     -5.1000002E-03
 C   0.6977000      -1.842500     -8.2000000E-03
 C    1.384100     -0.4825000      3.1399999E-02
 C   -1.502200      -3.060200     -4.1999999E-03
 C   -1.822400      0.1140000      0.6855000    
 C   -1.825000      0.1144000     -0.6905000    
 C    3.506900      0.6375000      3.5900000E-02
 C   -2.389700       1.139400       1.413300    
 C   -2.395000       1.140600      -1.415300    
 C    5.018700      0.4415000     -2.7000001E-02
 C   -2.974200       2.190900      0.7036000    
 C   -2.976900       2.191600     -0.7024000    
 H    1.015700      -2.382000     -0.9098000    
 H    1.013200      -2.428400      0.8649000    
 H    1.099600      6.1999999E-02  0.9390000    
 H    1.083100      0.1151000     -0.8361000    
 H   -2.592500      -2.946800     -3.8000001E-03
 H   -1.238100      -3.636100     -0.8973000    
 H   -1.237400      -3.635700      0.8890000    
 H    3.127700      -1.214700      0.8065000    
 H    3.242700       1.182500      0.9511000    
 H    3.184900       1.244200     -0.8199000    
 H   -2.385100       1.135100       2.497300    
 H   -2.394600       1.137300      -2.499200    
 H    5.300500     -9.9900000E-02 -0.9370000    
 H    5.368600     -0.1483000      0.8277000    
 H   -3.431400       3.017100       1.241500    
 H   -3.436000       3.018200      -1.237800    
 H    5.432000       2.252100      0.8205000    
 H    5.371500       2.295500     -0.8053000    


%chk=000047548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047548

0 1
O -1.225738 -0.856420 1.212470
O -1.140991 -0.743649 -1.189390
N 2.977485 -0.583122 0.135367
N 6.217492 1.453622 -0.096482
C -0.739047 -1.605681 -0.012314
C 0.784153 -1.718195 0.039709
C 1.517146 -0.363486 0.035272
C -1.491827 -2.931048 -0.100258
C -2.072977 0.168039 0.733842
C -2.022411 0.234991 -0.677433
C 3.800551 0.635479 -0.014257
C -2.855887 1.047260 1.486915
C -2.751594 1.184144 -1.398699
C 5.314077 0.298024 0.045890
C -3.607881 2.018118 0.766169
C -3.556724 2.085203 -0.645518
H 1.128001 -2.317663 -0.822884
H 1.040053 -2.286840 0.956168
H 1.112123 0.281035 0.851558
H 1.313250 0.153742 -0.920088
H -2.579742 -2.749625 -0.116677
H -1.207711 -3.467529 -1.021527
H -1.251405 -3.562655 0.772091
H 3.219693 -1.090360 0.999816
H 3.575588 1.419476 0.755711
H 3.571724 1.086539 -1.001067
H -2.885892 0.988596 2.578196
H -2.702726 1.228351 -2.489960
H 5.543911 -0.436060 -0.747492
H 5.539459 -0.201248 1.010411
H -4.237231 2.722352 1.320140
H -4.146743 2.840922 -1.174348
H 6.133534 2.153576 0.646918
H 6.212687 1.881413 -1.027047


