%chk=000072571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072571

0 1
 O    3.444500      -2.598400      0.7910000    
 O   -3.444500      -2.598400     -0.7911000    
 O    8.753600      0.1598000       1.703700    
 O   -8.753600      0.1598000      -1.703700    
 O    6.593200      0.1956000       2.409000    
 O   -6.593100      0.1958000      -2.409100    
 N    4.919300     -0.2662000      0.2383000    
 N   -4.919200     -0.2662000     -0.2383000    
 C   0.7225000     -0.2816000      3.5599999E-02
 C  -0.7225000     -0.2816000     -3.5599999E-02
 C    3.509100     -0.2811000      0.1726000    
 C   -3.509000     -0.2811000     -0.1726000    
 C    1.404000      -1.448200      0.3822000    
 C   -1.404000      -1.448200     -0.3822000    
 C    2.797300      -1.448100      0.4505000    
 C   -2.797200      -1.448000     -0.4506000    
 C    1.434300      0.8854000     -0.2424000    
 C   -1.434200      0.8854000      0.2424000    
 C    2.827500      0.8857000     -0.1737000    
 C   -2.827500      0.8856000      0.1738000    
 C    5.896800      0.4774000     -0.4489000    
 C   -5.896800      0.4774000      0.4489000    
 C    7.118100      0.7935000      0.1528000    
 C   -7.118100      0.7935000     -0.1528000    
 C    5.638700      0.9047000      -1.754100    
 C   -5.638700      0.9046000       1.754100    
 C    8.073700       1.531600     -0.5455000    
 C   -8.073700       1.531600      0.5456000    
 C    6.594400       1.642600      -2.452400    
 C   -6.594400       1.642400       2.452500    
 C    7.812000       1.956200      -1.848200    
 C   -7.811900       1.956100       1.848200    
 C    3.812300      -3.473400     -0.2730000    
 C   -3.812300      -3.473400      0.2729000    
 C    7.422800      0.3645000       1.511900    
 C   -7.422800      0.3646000      -1.511900    
 H   0.8842000      -2.368400      0.6367000    
 H  -0.8842000      -2.368400     -0.6368000    
 H   0.9490000       1.810400     -0.5414000    
 H  -0.9489000       1.810400      0.5414000    
 H    3.353100       1.814500     -0.3774000    
 H   -3.353100       1.814400      0.3776000    
 H    5.298800     -0.9554000      0.8810000    
 H   -5.298700     -0.9553000     -0.8811000    
 H    4.710800      0.6555000      -2.261900    
 H   -4.710900      0.6553000       2.261900    
 H    9.026400       1.803800     -9.8999999E-02
 H   -9.026600       1.803800      9.9200003E-02
 H    6.392900       1.968900      -3.468500    
 H   -6.393000       1.968700       3.468700    
 H    8.555000       2.532400      -2.391700    
 H   -8.555000       2.532300       2.391900    
 H    4.485000      -2.970000     -0.9747000    
 H    4.334600      -4.333000      0.1556000    
 H    2.921600      -3.831800     -0.7988000    
 H   -4.485000      -2.970200      0.9745000    
 H   -2.921700      -3.831900      0.7987000    
 H   -4.334700      -4.333000     -0.1557000    
 H    8.950300     -0.1289000       2.620400    
 H   -8.950400     -0.1288000      -2.620400    


%chk=000072571-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072571

0 1
O 3.566858 -2.506502 0.763994
O -3.566857 -2.506613 -0.763778
O 9.071487 -0.299263 1.630033
O -9.071010 -0.298675 -1.630912
O 6.973513 -1.262316 1.762904
O -6.972892 -1.261452 -1.763714
N 5.033826 -0.236588 0.212978
N -5.033866 -0.236691 -0.212884
C 0.743520 -0.154819 0.015312
C -0.743559 -0.154832 -0.015263
C 3.630034 -0.154010 0.072075
C -3.630071 -0.154077 -0.072013
C 1.473793 -1.333044 0.334290
C -1.473812 -1.333093 -0.334151
C 2.876471 -1.335568 0.356031
C -2.876491 -1.335643 -0.355886
C 1.495057 1.021733 -0.257683
C -1.495114 1.021728 0.257647
C 2.902212 1.030403 -0.220222
C -2.902269 1.030371 0.220190
C 6.023247 0.531370 -0.395606
C -6.023293 0.531255 0.395703
C 7.387415 0.469071 0.088148
C -7.387445 0.468882 -0.088058
C 5.759305 1.361106 -1.531009
C -5.759405 1.360963 1.531138
C 8.396618 1.260306 -0.531541
C -8.396713 1.260024 0.531646
C 6.778550 2.118093 -2.127321
C -6.778710 2.117849 2.127479
C 8.106422 2.090506 -1.623050
C -8.106583 2.090176 1.623210
C 4.087272 -3.327428 -0.351451
C -4.087336 -3.327436 0.351713
C 7.742929 -0.422073 1.198946
C -7.742813 -0.422231 -1.198925
H 0.960281 -2.260246 0.608384
H -0.960286 -2.260307 -0.608180
H 0.974794 1.950095 -0.515852
H -0.974866 1.950116 0.515751
H 3.433283 1.972163 -0.382317
H -3.433359 1.972131 0.382228
H 5.380408 -0.938530 0.895431
H -5.380456 -0.938748 -0.895213
H 4.758423 1.371553 -1.967889
H -4.758528 1.371450 1.968028
H 9.412672 1.193988 -0.133283
H -9.412756 1.193656 0.133373
H 6.540826 2.730470 -3.004794
H -6.541035 2.730203 3.004981
H 8.892055 2.692188 -2.089541
H -8.892263 2.691772 2.089733
H 4.771008 -2.740731 -0.994243
H 4.636131 -4.155319 0.121721
H 3.252168 -3.722947 -0.960952
H -4.771105 -2.740676 0.994412
H -3.252265 -3.722901 0.961294
H -4.636172 -4.155366 -0.121414
H 9.215857 -0.945771 2.371759
H -9.215007 -0.944526 -2.373284


