%chk=000055707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055707

0 1
 O    4.229300      -2.764900      -1.242100    
 O  -8.7800004E-02 -1.7600000E-02  -2.108600    
 N    3.440200      0.3431000      0.6231000    
 N    1.019300      -1.194100     -0.4461000    
 C    3.401800      -1.868100     -0.4990000    
 C    4.186900     -0.5818000     -0.2185000    
 C    2.097100      -1.668700      -1.273000    
 C   -1.031600     -2.1900000E-02  0.1346000    
 C    3.418900     -0.1228000       2.011400    
 C    4.014800       1.688200      0.5493000    
 C  -5.1000002E-03 -0.3918000     -0.9403000    
 C   -1.601700       1.375700     -7.2600000E-02
 C   -2.109600      -1.083200      0.3236000    
 C    2.585800      0.7981000       2.886700    
 C    4.047300       2.193400     -0.8831000    
 C  -0.9798000       2.476900      0.5161000    
 C   -2.708900      -1.253900       1.571700    
 C   -2.745100       1.554400     -0.8513000    
 C   -2.497100      -1.883300     -0.7514000    
 C   -1.501400       3.756600      0.3263000    
 C   -3.695500      -2.224800       1.744700    
 C   -3.266600       2.834200      -1.041200    
 C   -3.483700      -2.854100     -0.5781000    
 C   -2.644600       3.935200     -0.4523000    
 C   -4.082800      -3.024800      0.6699000    
 H    3.182100      -2.399000      0.4331000    
 H    5.165200     -0.8219000      0.2210000    
 H    4.418900     -0.1789000      -1.208700    
 H    1.765300      -2.624000      -1.697300    
 H    2.249800     -0.9946000      -2.123900    
 H  -0.4762000      7.1000000E-03   1.085300    
 H    2.959600      -1.113900       2.078700    
 H    4.430600     -0.2074000       2.428100    
 H    3.391300       2.400800       1.099000    
 H    5.024200       1.728500      0.9776000    
 H   0.9617000      -1.537400      0.5082000    
 H    3.092500       1.742800       3.105600    
 H    1.610400       1.011000       2.437600    
 H    2.399700      0.3143000       3.852300    
 H    4.889800       1.792400      -1.454600    
 H    3.113600       1.981000      -1.415700    
 H    4.174800       3.282400     -0.8805000    
 H    5.031300      -2.929100     -0.7172000    
 H  -8.6199999E-02   2.353600       1.121600    
 H   -2.417200     -0.6364000       2.416900    
 H   -3.245400      0.7257000      -1.341200    
 H   -2.061800      -1.769200      -1.739300    
 H   -1.016400       4.614000      0.7837000    
 H   -4.162400      -2.357300       2.716300    
 H   -4.154300       2.974400      -1.651300    
 H   -3.787900      -3.475100      -1.415600    
 H   -3.049900       4.931700     -0.6014000    
 H   -4.851700      -3.780000      0.8044000    


%chk=000055707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055707

0 1
O 4.688150 -1.995792 -1.808380
O -0.330072 -1.117320 -2.269385
N 3.348358 0.141577 1.059887
N 1.420986 -0.557133 -0.844562
C 3.676042 -1.531077 -0.844576
C 4.273600 -0.368834 -0.001954
C 2.474447 -1.107854 -1.708518
C -0.847715 0.077169 -0.152975
C 3.368421 -0.738779 2.272746
C 3.628956 1.573027 1.404459
C 0.093275 -0.591911 -1.188240
C -1.514667 1.324483 -0.760024
C -1.873156 -0.909051 0.435287
C 2.098283 -0.617055 3.134436
C 3.140173 2.567791 0.335554
C -1.337293 2.584725 -0.135473
C -2.190949 -0.813742 1.815043
C -2.314355 1.245987 -1.928827
C -2.535120 -1.887642 -0.350303
C -1.949640 3.746409 -0.659387
C -3.150043 -1.669389 2.401284
C -2.922303 2.406358 -2.455374
C -3.490944 -2.746815 0.237217
C -2.746722 3.660073 -1.822966
C -3.806135 -2.641532 1.611714
H 3.365023 -2.363270 -0.176208
H 5.243155 -0.703935 0.444524
H 4.509340 0.453230 -0.700754
H 2.079285 -1.972282 -2.268665
H 2.817312 -0.363585 -2.456280
H -0.223318 0.430636 0.690235
H 3.460517 -1.784573 1.927411
H 4.274257 -0.525835 2.890148
H 3.111816 1.790907 2.356128
H 4.719965 1.720233 1.593269
H 1.782176 -0.117505 0.032190
H 1.952216 0.408209 3.519375
H 1.202662 -0.901153 2.553887
H 2.168048 -1.291248 4.007589
H 3.637738 2.414550 -0.638574
H 2.051548 2.476198 0.174510
H 3.357110 3.602511 0.658270
H 5.454567 -2.387683 -1.317723
H -0.722939 2.657151 0.772100
H -1.691817 -0.055674 2.433143
H -2.434057 0.281394 -2.431369
H -2.275625 -1.982913 -1.409539
H -1.805134 4.712408 -0.161796
H -3.384001 -1.577871 3.468332
H -3.534229 2.333089 -3.361780
H -3.990757 -3.501110 -0.381548
H -3.223845 4.557531 -2.232909
H -4.551090 -3.307582 2.061854


