%chk=000085152.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085152

0 1
 O   0.8277000      0.3731000      0.5313000    
 O   -4.130500     -7.9999998E-02  -1.806900    
 O   -2.388000       2.763000      -1.169900    
 O    2.238300       2.022500       1.298600    
 N   -3.126700      -1.359800       1.458200    
 N    3.773700      -1.885700      -1.017600    
 C   -2.258900      0.5048000     -0.4351000    
 C   -1.550600      0.3132000      0.7393000    
 C   -3.409800     -0.2406000     -0.6661000    
 C  -0.3023000       1.089200       1.041000    
 C   -3.797800      -1.151700      0.3031000    
 C   -1.797700       1.500800      -1.449700    
 C   -2.013100     -0.6171000       1.647800    
 C   -5.026100      -1.978100      0.1052000    
 C    2.058800      0.9412000      0.7202000    
 C    3.118800      0.1220000      0.1593000    
 C    4.449500      0.5171000      0.2409000    
 C    2.836100      -1.077300     -0.4744000    
 C    5.442700     -0.2878000     -0.3061000    
 C    5.056000      -1.468800     -0.9190000    
 H  -0.3338000       2.105300      0.6328000    
 H  -0.1919000       1.193700       2.128400    
 H  -0.7099000       1.610300      -1.484300    
 H   -2.089900       1.204300      -2.463400    
 H   -1.495700     -0.8089000       2.582300    
 H   -4.930900      -2.609100     -0.7843000    
 H   -5.187800      -2.642600      0.9611000    
 H   -5.912200      -1.341700      1.4300000E-02
 H   -4.902000     -0.6670000      -1.822800    
 H   -3.336300       2.628800      -1.001800    
 H    4.731900       1.447500      0.7259000    
 H    1.827100      -1.462100     -0.5838000    
 H    6.486500       0.000000     -0.2544000    
 H    5.792300      -2.131900      -1.361100    


%chk=000085152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085152

0 1
O 0.775490 0.364012 0.522901
O -4.015965 -0.275277 -1.914639
O -1.728594 2.685565 -1.227930
O 2.225620 1.819521 1.630438
N -3.397673 -1.209901 1.630742
N 3.855237 -1.667552 -1.377217
C -2.228197 0.382858 -0.433563
C -1.630577 0.301780 0.856292
C -3.415670 -0.358590 -0.644826
C -0.378069 1.070707 1.188426
C -3.980441 -1.150290 0.399908
C -1.632657 1.237697 -1.539520
C -2.253909 -0.496401 1.842012
C -5.247487 -1.950920 0.179347
C 2.040787 0.863059 0.838355
C 3.124568 0.121257 0.129224
C 4.467279 0.536222 0.318594
C 2.870279 -0.984550 -0.725144
C 5.494066 -0.160831 -0.348852
C 5.143194 -1.249573 -1.182761
H -0.407951 2.102288 0.797740
H -0.184822 1.098347 2.274540
H -0.549883 1.056790 -1.623741
H -2.117009 1.011397 -2.504882
H -1.821534 -0.575279 2.846034
H -5.133074 -2.707268 -0.623542
H -5.487276 -2.484850 1.111058
H -6.113076 -1.306098 -0.074155
H -4.814789 -0.856734 -1.964625
H -2.684825 2.944691 -1.230237
H 4.673485 1.386558 0.976651
H 1.845883 -1.332888 -0.886323
H 6.542984 0.127162 -0.231097
H 5.912107 -1.816309 -1.720205


