%chk=000056535.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056535

0 1
 O   -2.001200      0.1502000     -5.5000000E-03
 O    4.213900     -0.2732000     -0.3522000    
 O   -1.558900       2.395300      0.2445000    
 N   -5.589000     -0.7014000      7.6300003E-02
 C   -4.153300     -0.9119000     -3.3500001E-02
 C   -3.406400      0.4067000      9.0700001E-02
 C   0.2287000      0.8412000     -2.7300000E-02
 C    2.907200      9.2100002E-02 -0.2455000    
 C    1.231500       1.808600      4.1299999E-02
 C   0.5654000     -0.5008000     -0.2047000    
 C    2.570600       1.434000     -6.8000004E-02
 C    1.904600     -0.8753000     -0.3137000    
 C   -1.167700       1.231300      8.6000003E-02
 C    4.564500      -1.575000      0.1149000    
 C   -6.309400      -1.965700     -1.9999999E-04
 C    5.999400      -1.556000      0.5970000    
 H   -3.898200      -1.382600     -0.9914000    
 H   -3.800500      -1.592100      0.7519000    
 H   -3.618700      0.8762000       1.058800    
 H   -3.701300       1.091000     -0.7139000    
 H   0.9911000       2.859500      0.1792000    
 H  -0.1817000      -1.286900     -0.2699000    
 H    3.347500       2.191800     -1.3900000E-02
 H    2.122700      -1.926300     -0.4789000    
 H   -5.904200     -8.5699998E-02 -0.6728000    
 H    3.938200      -1.888100      0.9597000    
 H    4.458900      -2.292600     -0.7061000    
 H   -6.135700      -2.469500     -0.9567000    
 H   -7.383800      -1.778600      9.1600001E-02
 H   -6.021500      -2.636100      0.8161000    
 H    6.306100      -2.543400      0.9534000    
 H    6.672900      -1.247300     -0.2094000    
 H    6.124000     -0.8325000       1.409600    


%chk=000056535-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056535

0 1
O -2.087681 0.070894 0.061706
O 4.334300 -0.164953 0.148616
O -1.628354 2.357154 0.020326
N -5.733640 -0.664684 -0.174591
C -4.282665 -0.927877 -0.119723
C -3.537872 0.399155 0.052236
C 0.210420 0.754640 0.077957
C 2.956746 0.063525 0.126463
C 1.209432 1.768268 0.064028
C 0.606640 -0.605616 0.116704
C 2.569072 1.429993 0.087679
C 1.970425 -0.958782 0.141051
C -1.214346 1.169657 0.051285
C 4.811858 -1.564945 0.192491
C -6.585416 -1.865704 -0.104125
C 6.336456 -1.508457 0.209240
H -3.882918 -1.461829 -1.016674
H -4.080441 -1.573147 0.755789
H -3.810455 0.892097 1.001225
H -3.740003 1.105009 -0.776012
H 0.891555 2.815506 0.034726
H -0.162765 -1.382603 0.128219
H 3.350422 2.195501 0.077674
H 2.251561 -2.015205 0.171389
H -5.983448 -0.057273 -0.965762
H 4.415174 -2.058083 1.103199
H 4.436539 -2.107305 -0.699056
H -6.385121 -2.622954 -0.901400
H -7.647351 -1.570282 -0.170474
H -6.439513 -2.364135 0.872146
H 6.753294 -2.531394 0.243501
H 6.717808 -1.004988 -0.695213
H 6.695987 -0.954284 1.092782