%chk=000052087.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052087

0 1
 O    4.553100      0.8145000     -0.1841000    
 O   -1.656400       2.023000     -0.3174000    
 N   -5.189100     -0.8585000      0.1947000    
 N   -1.674300      8.0100000E-02  0.9498000    
 C   -5.858100      0.3716000     -0.2277000    
 C   -5.813500      -1.920200     -0.5940000    
 C   -7.318700     -4.6300001E-02 -0.3136000    
 C   -7.289400      -1.553100     -0.5508000    
 C   -3.747300     -0.8002000      4.9999999E-03
 C   -3.099100      1.9000000E-03   1.123800    
 C   -1.060600       1.100200      0.2324000    
 C   0.4190000       1.023900      0.1222000    
 C    6.468200     -0.6172000     -0.3794000    
 C    5.190800     -0.3233000      0.3944000    
 C    7.196500      -1.837000      0.1779000    
 C    1.067700       1.601600     -0.9692000    
 C    1.159600      0.3752000       1.110300    
 C    3.197400      0.8820000     -8.4399998E-02
 C    2.456800       1.530700      -1.072600    
 C    2.548800      0.3041000       1.007000    
 C    8.448700      -2.152900     -0.6243000    
 H   -5.513800      0.7081000      -1.214200    
 H   -5.726700       1.191000      0.4856000    
 H   -5.633300      -2.912700     -0.1689000    
 H   -5.459300      -1.914100      -1.632900    
 H   -7.842600      0.1710000      0.6247000    
 H   -7.840200      0.4805000      -1.119200    
 H   -7.798900      -1.827700      -1.479900    
 H   -7.794700      -2.068000      0.2748000    
 H   -3.478700     -0.3970000     -0.9803000    
 H   -3.329600      -1.815700      4.1700002E-02
 H   -3.279900     -0.4725000       2.094900    
 H   -3.497500       1.021200       1.168100    
 H   -1.128500     -0.6903000       1.320600    
 H    7.122900      0.2628000     -0.3506000    
 H    6.222300     -0.7730000      -1.437400    
 H    4.551100      -1.213800      0.3401000    
 H    5.426600     -0.1062000       1.442600    
 H    6.532100      -2.708900      0.1607000    
 H    7.472500      -1.660000       1.223900    
 H   0.5081000       2.107600      -1.751500    
 H   0.6972000     -5.4800000E-02   1.993700    
 H    2.956800       1.981900      -1.925300    
 H    3.090700     -0.1794000       1.814500    
 H    9.150000      -1.312700     -0.6036000    
 H    8.955400      -3.028800     -0.2069000    
 H    8.201600      -2.369000      -1.668700    


%chk=000052087-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052087

0 1
O 4.577663 0.171576 -0.733460
O -1.643654 1.825874 -0.495746
N -5.510259 -0.733047 0.225061
N -1.794572 -0.128198 0.755364
C -6.136789 0.598466 -0.013127
C -6.339716 -1.690430 -0.553196
C -7.665464 0.309133 -0.024730
C -7.784990 -1.237174 -0.244145
C -4.066326 -0.804983 -0.064477
C -3.242762 -0.000573 0.970532
C -1.074795 0.814626 0.031093
C 0.405041 0.579606 -0.102469
C 6.840196 -0.610559 -0.382819
C 5.399276 -0.710478 0.120573
C 7.804608 -1.498921 0.437636
C 1.093124 1.288880 -1.125062
C 1.152749 -0.277073 0.743318
C 3.207684 0.258016 -0.466522
C 2.473619 1.130340 -1.312467
C 2.543946 -0.444691 0.571916
C 9.262662 -1.396215 -0.058959
H -5.811623 1.022592 -0.996872
H -5.846840 1.317948 0.772036
H -6.131878 -2.729532 -0.239996
H -6.138175 -1.615159 -1.653506
H -8.133006 0.602340 0.930503
H -8.164278 0.879894 -0.827385
H -8.480926 -1.498180 -1.060381
H -8.142934 -1.726179 0.678101
H -3.818235 -0.425478 -1.088293
H -3.760069 -1.869026 -0.021553
H -3.504170 -0.347472 1.987228
H -3.482145 1.072911 0.890472
H -1.333948 -0.987189 1.056269
H 7.165578 0.446103 -0.332393
H 6.870126 -0.905695 -1.449162
H 5.022178 -1.752201 0.047235
H 5.322936 -0.377806 1.177118
H 7.470581 -2.555400 0.385845
H 7.758024 -1.207300 1.506905
H 0.512164 1.968734 -1.756371
H 0.672066 -0.800074 1.579361
H 3.009546 1.669111 -2.099596
H 3.093397 -1.104055 1.249685
H 9.632055 -0.356065 0.010223
H 9.937375 -2.035712 0.538595
H 9.344658 -1.711687 -1.115882


