%chk=000056831.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056831

0 1
 O   0.6815000     -0.3618000     -0.1373000    
 O    6.760500      0.9415000     -0.3416000    
 O    1.434900      -2.529700     -0.3160000    
 N   -2.985000     -3.0600000E-02  4.3299999E-02
 C   -3.867400       1.135500      5.9999999E-02
 C   -1.584100      0.3888000      2.1100000E-02
 C   -5.319800      0.7404000      2.2399999E-02
 C  -0.6651000     -0.8161000     -0.1023000    
 C   -3.244400     -0.8846000       1.201800    
 C   -6.001100      0.5271000       1.212500    
 C   -5.957100      0.5955000      -1.202000    
 C   -7.346700      0.1614000       1.177700    
 C   -7.302800      0.2300000      -1.236900    
 C    2.992900     -0.7253000     -0.2711000    
 C    1.635800      -1.327000     -0.2467000    
 C   -7.997600      1.2900000E-02 -4.7100000E-02
 C    4.051900      -1.448900      0.2379000    
 C    3.153700      0.5382000     -0.8024000    
 C    5.515900      0.3914000     -0.3171000    
 C    5.327400     -0.8843000      0.2146000    
 C    4.429200       1.102500     -0.8257000    
 C    7.662700      0.5529000      0.6932000    
 C    8.624700       1.690500      0.9617000    
 H   -3.659900       1.773500     -0.8098000    
 H   -3.681200       1.767100      0.9403000    
 H   -1.317700      0.9708000      0.9137000    
 H   -1.399100       1.048800     -0.8367000    
 H  -0.7409000      -1.487600      0.7566000    
 H  -0.8860000      -1.373900      -1.020600    
 H   -2.629700      -1.788300       1.206500    
 H   -4.253300      -1.306300       1.187500    
 H   -3.088000     -0.3618000       2.152700    
 H   -5.512700      0.6537000       2.174700    
 H   -5.425300      0.7601000      -2.134800    
 H   -7.888700     -4.4000000E-03   2.104200    
 H   -7.809500      0.1140000      -2.190400    
 H   -9.045500     -0.2711000     -7.4199997E-02
 H    3.917800      -2.443800      0.6518000    
 H    2.326600       1.106800      -1.216700    
 H    6.150000      -1.482300      0.5953000    
 H    4.570700       2.095400      -1.244100    
 H    8.218700     -0.3345000      0.3714000    
 H    7.138200      0.3376000       1.632600    
 H    9.339700       1.422400       1.744600    
 H    9.177700       1.950200      5.2900001E-02
 H    8.082000       2.589700       1.271400    


%chk=000056831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056831

0 1
O 0.595676 -0.248802 0.197409
O 6.788057 1.292780 0.283970
O 1.429211 -2.357741 -0.348302
N -3.128854 -0.124651 0.560883
C -4.064791 1.027076 0.537134
C -1.709534 0.291239 0.642415
C -5.463736 0.653486 0.052561
C -0.779604 -0.810812 0.118874
C -3.502350 -1.120367 1.590838
C -6.609760 1.243615 0.639188
C -5.634908 -0.252192 -1.025136
C -7.904433 0.945398 0.153863
C -6.926301 -0.556072 -1.508691
C 2.972174 -0.504040 0.025569
C 1.638920 -1.149348 -0.067888
C -8.066699 0.044298 -0.923143
C 4.121578 -1.297706 -0.215254
C 3.134933 0.873012 0.346286
C 5.562377 0.632123 0.180581
C 5.413686 -0.743937 -0.140792
C 4.416714 1.436719 0.423194
C 8.025132 0.515946 0.045283
C 9.191937 1.483073 0.222223
H -3.637186 1.781216 -0.153567
H -4.147542 1.523232 1.538439
H -1.400314 0.566872 1.681133
H -1.568446 1.187335 0.010710
H -0.817403 -1.737245 0.718098
H -1.012800 -1.063040 -0.930453
H -2.874595 -2.022800 1.503434
H -4.551478 -1.425536 1.442523
H -3.397501 -0.720472 2.630687
H -6.489840 1.937804 1.480951
H -4.744189 -0.719442 -1.459837
H -8.782118 1.409476 0.618285
H -7.045427 -1.258953 -2.341429
H -9.068916 -0.190980 -1.299046
H 3.981694 -2.355594 -0.461640
H 2.248739 1.485668 0.531876
H 6.283276 -1.379111 -0.331115
H 4.563391 2.492804 0.668249
H 8.000531 0.095313 -0.980500
H 8.077678 -0.319754 0.772313
H 10.148837 0.956457 0.053992
H 9.119585 2.316186 -0.497234
H 9.198500 1.903869 1.241966


