%chk=000093861.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093861

0 1
 O    2.426500      0.6771000      0.3030000    
 O    3.566600      -1.011000       2.302000    
 O    4.362000      0.9990000      -1.768900    
 O    1.569800      -1.127400     -0.8429000    
 O   -2.944000      -2.124500      -1.300300    
 O   -4.900400       1.187100       1.283000    
 N    3.661000      5.9900001E-02  0.2398000    
 N   -3.479700     -0.1941000     -2.5500000E-02
 C    5.458000      -1.249700      0.8106000    
 C    5.722100     -0.5824000     -0.5409000    
 C    4.112800     -0.7340000       1.245400    
 C    4.511900      0.2744000     -0.7973000    
 C   -2.263400      0.5611000     -7.2600000E-02
 C   0.1206000      0.6539000     -0.2024000    
 C   -1.036300     -9.6600004E-02 -0.1584000    
 C    1.427300     -4.5600001E-02 -0.2938000    
 C   -2.306400       1.954800     -3.2499999E-02
 C   0.1046000       2.033100     -0.1643000    
 C   -3.673400      -1.428000     -0.6134000    
 C   -4.637200      0.2008000      0.6147000    
 C   -1.122300       2.690700     -7.8500003E-02
 C   -5.054200      -1.831500     -0.3105000    
 C   -5.625600     -0.8669000      0.4036000    
 H    6.217800     -0.9703000       1.546300    
 H    5.424400      -2.339000      0.7161000    
 H    5.825900      -1.325000      -1.337300    
 H    6.618700      4.3299999E-02 -0.5060000    
 H  -0.9771000      -1.180400     -0.1589000    
 H   -3.244300       2.500200      5.5000000E-03
 H    1.011400       2.628300     -0.2132000    
 H   -1.156100       3.776100     -5.7000000E-02
 H   -5.504900      -2.754500     -0.6348000    
 H   -6.633000     -0.8493000      0.7843000    


%chk=000093861-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093861

0 1
O 2.525701 0.816678 0.130636
O 3.912059 -0.280057 2.427759
O 4.050209 0.217317 -2.259213
O 1.557442 -1.333790 -0.073025
O -2.861879 -1.940418 -1.577795
O -4.981422 1.136957 1.308646
N 3.767026 0.133062 0.095520
N -3.545126 -0.174394 -0.100748
C 5.686081 -1.021436 0.810686
C 5.732894 -0.854996 -0.733011
C 4.378639 -0.372048 1.276476
C 4.448490 -0.118266 -1.127851
C -2.322696 0.572338 0.000806
C 0.118978 0.649980 0.066370
C -1.080791 -0.098766 -0.027036
C 1.389359 -0.111134 0.027018
C -2.364918 1.984858 0.131129
C 0.084540 2.061747 0.203480
C -3.727723 -1.374945 -0.872511
C -4.779836 0.155910 0.555582
C -1.162690 2.715591 0.239404
C -5.156583 -1.796256 -0.666449
C -5.766224 -0.909089 0.162987
H 6.529823 -0.529266 1.323629
H 5.681614 -2.077920 1.127640
H 5.758185 -1.819456 -1.267537
H 6.600485 -0.266854 -1.077386
H -1.023066 -1.184700 -0.131622
H -3.325855 2.502999 0.161127
H 1.016875 2.625902 0.278951
H -1.205027 3.803934 0.345685
H -5.560165 -2.687081 -1.147377
H -6.791299 -0.896804 0.532930


