%chk=000047045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047045

2 1
 O  -7.5700000E-02  -3.439900      3.0000001E-04
 N   -2.467600      0.7760000      9.9999997E-05
 N    2.452700      0.6954000      3.0000001E-04
 C   -1.154600     -1.0700000E-02 -1.7000000E-03
 C    1.188500     -6.8999999E-03 -3.9999999E-04
 C  -7.8999996E-03  0.7103000     -1.1000000E-03
 C   -2.517600       1.649600      -1.250100    
 C   -2.526100       1.631000       1.262800    
 C   -3.689600     -0.1401000     -1.0300000E-02
 C    2.603900       1.606500       1.251500    
 C    2.614300       1.590600      -1.261400    
 C    3.717900     -0.2192000      1.0700000E-02
 C   -1.250000      -1.361900     -8.9999998E-04
 C    1.165600      -1.401600      1.9999999E-04
 C  -5.3700000E-02  -2.079000       0.000000    
 H   3.1000001E-03   1.792900     -7.9999998E-04
 H   -2.391000       1.010600      -2.130000    
 H   -3.495300       2.141500      -1.281400    
 H   -1.737900       2.414600      -1.204800    
 H   -1.741600       2.392200       1.236100    
 H   -3.501800       2.126800       1.292000    
 H   -2.410200      0.9783000       2.134000    
 H   -3.704000     -0.7463000      0.9015000    
 H   -4.582200      0.4961000     -1.2200000E-02
 H   -3.693700     -0.7387000     -0.9272000    
 H    1.831800       2.380100       1.224200    
 H    2.499800      0.9779000       2.141200    
 H    3.593200       2.073200       1.221700    
 H    3.601800       2.060800      -1.227400    
 H    2.520800      0.9501000      -2.143700    
 H    1.838900       2.361400      -1.251700    
 H    3.705100     -0.8227000      0.9237000    
 H    3.715200     -0.8302000     -0.8973000    
 H    4.604800      0.4233000      1.2700000E-02
 H   -2.164900      -1.937500     -5.0000002E-04
 H    2.062400      -2.011700      6.0000003E-04
 H  -0.9996000      -3.743400     -9.9999997E-05


%chk=000047045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047045

2 1
O 0.068653 -3.500311 -0.001637
N -2.517808 0.799632 -0.001877
N 2.539818 0.716572 0.002969
C -1.217044 -0.008338 -0.001097
C 1.214039 -0.045092 0.001536
C 0.006721 0.700396 0.000624
C -2.581885 1.685447 -1.262233
C -2.584506 1.683390 1.259803
C -3.773144 -0.085882 -0.003962
C 2.635181 1.598470 1.263217
C 2.638508 1.596515 -1.258428
C 3.760269 -0.218464 0.005442
C -1.258039 -1.415471 -0.001913
C 1.209590 -1.444506 0.000714
C -0.032522 -2.131250 -0.000993
H 0.022748 1.792898 0.001167
H -2.525846 1.040929 -2.151811
H -3.533044 2.239076 -1.252259
H -1.744989 2.396858 -1.259183
H -1.747152 2.394274 1.259947
H -3.535344 2.237543 1.248431
H -2.530965 1.037369 2.148445
H -3.792394 -0.707207 0.903253
H -4.650162 0.578143 -0.004632
H -3.790124 -0.706166 -0.911937
H 1.822074 2.337250 1.262297
H 2.560669 0.955165 2.152342
H 3.604170 2.120107 1.251824
H 3.607410 2.118272 -1.245272
H 2.566409 0.951816 -2.146740
H 1.825195 2.335094 -1.260783
H 3.750142 -0.840998 0.911776
H 3.753565 -0.841377 -0.900658
H 4.662276 0.411180 0.006947
H -2.197387 -1.972739 -0.003287
H 2.108605 -2.062409 0.001411
H -0.788885 -3.996786 -0.002844


