%chk=000085829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085829

0 1
 O   -4.004300       1.216700      0.3054000    
 O    4.584600     -0.4467000     -0.2321000    
 O    1.365200      -1.783100      0.7343000    
 O   0.7179000       2.672800     -0.1536000    
 N  -0.6907000      0.8072000     -0.3595000    
 N    1.384000      0.5123000      0.4052000    
 C  -0.6334000     -0.6430000     -0.1207000    
 C  -0.7934000      -1.442500      -1.424000    
 C   -1.617500      -1.078300      0.9775000    
 C   0.8171000     -0.7416000      0.3930000    
 C  -0.8901000      -2.952300      -1.204800    
 C   -1.700100      -2.594200       1.155500    
 C   -1.869700       1.484400     -0.8747000    
 C   -1.948900      -3.307600     -0.1680000    
 C   -2.767900       1.912500      0.2698000    
 C   0.5025000       1.471500     -4.5600001E-02
 C    2.743800      0.7756000      0.8348000    
 C    3.695400      0.6541000     -0.3398000    
 C   -4.044300       2.614500     -9.8000001E-03
 C    5.149900      0.8676000     -0.1429000    
 H   3.9600000E-02  -1.233500      -2.107400    
 H   -1.703100      -1.131000      -1.949800    
 H   -2.626100     -0.7439000      0.7237000    
 H   -1.362500     -0.6128000       1.937700    
 H   8.1400000E-02  -3.349500     -0.8898000    
 H   -1.131200      -3.442100      -2.155500    
 H   -2.508400      -2.833600       1.856400    
 H  -0.7760000      -2.970300       1.608600    
 H   -1.540000       2.387500      -1.400400    
 H   -2.394100      0.8515000      -1.594900    
 H   -2.940900      -3.036100     -0.5496000    
 H   -1.955600      -4.391300     -5.7999999E-03
 H   -2.257200       2.142500       1.194700    
 H    2.794600       1.796800       1.227400    
 H    3.012200      7.5300001E-02   1.633600    
 H    3.273000      0.9068000      -1.302500    
 H   -4.438500       3.283800      0.7439000    
 H   -4.278700       2.891000      -1.029500    
 H    5.736600       1.215200     -0.9832000    
 H    5.506200       1.194500      0.8253000    


%chk=000085829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085829

0 1
O -3.868346 1.290879 0.600595
O 4.195011 0.076133 -1.187329
O 1.354362 -1.925503 0.890711
O 0.833322 2.641432 -0.106115
N -0.651073 0.792660 -0.317082
N 1.425061 0.398856 0.476198
C -0.626680 -0.682608 -0.060119
C -0.822521 -1.488561 -1.382519
C -1.692365 -1.099976 0.999305
C 0.814444 -0.864325 0.486770
C -0.878782 -3.016357 -1.144860
C -1.745459 -2.630247 1.217777
C -1.765008 1.560922 -0.880434
C -1.973493 -3.380914 -0.115348
C -2.703066 2.155176 0.160520
C 0.544881 1.416966 -0.001100
C 2.806052 0.664505 0.897880
C 3.681869 1.143840 -0.247668
C -4.099235 2.544400 -0.210740
C 5.141131 0.812660 -0.270250
H -0.017803 -1.228432 -2.096120
H -1.783192 -1.163645 -1.832582
H -2.677156 -0.740713 0.643795
H -1.486836 -0.575205 1.951982
H 0.102233 -3.367600 -0.776016
H -1.069864 -3.521962 -2.110894
H -2.560308 -2.857801 1.931480
H -0.799272 -2.976611 1.672599
H -1.328224 2.395275 -1.462856
H -2.343014 0.921272 -1.570875
H -2.971554 -3.116275 -0.523648
H -1.975530 -4.473177 0.061280
H -2.214558 2.680935 0.990661
H 2.801434 1.433480 1.694011
H 3.192449 -0.284829 1.308998
H 3.334211 2.048144 -0.760948
H -4.594252 3.361124 0.327503
H -4.454028 2.365991 -1.234625
H 5.840468 1.492283 -0.771716
H 5.566091 0.198507 0.534681


