%chk=000158473.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158473

0 1
 O   -2.879800      -2.530000       1.978500    
 N   -4.804000     -0.7959000     -0.6761000    
 N    4.377200      0.8182000     -0.4560000    
 N   -1.711500     -0.1368000      0.9508000    
 N   -1.788200       2.193900      0.6410000    
 N    4.628400      -3.243900      5.8800001E-02
 C    3.046800       1.068900     -0.2133000    
 C    2.444400     -0.1519000      8.2599998E-02
 C   -3.681500      -1.484500       1.425800    
 C   -4.004700      -1.829400     -3.2600001E-02
 C   0.3315000       1.032700      0.3591000    
 C    2.341500       2.278600     -0.2345000    
 C   0.9665000       2.253400      5.6299999E-02
 C   -2.950400     -0.1556000       1.634400    
 C    3.458900      -1.157700      1.1200000E-02
 C    1.064300     -0.1700000      0.3734000    
 C   -1.035500       1.070800      0.6398000    
 C    4.652700     -0.5221000     -0.3264000    
 C   -6.107600     -0.6675000     -2.1100000E-02
 C   -4.979900      -1.089600      -2.100100    
 C   0.2051000       3.427500      5.2299999E-02
 C    3.049900       3.556700     -0.5601000    
 C    3.476900      -2.544500      0.2012000    
 C    5.851300      -1.212600     -0.4799000    
 C   -1.147200       3.343900      0.3468000    
 C   -6.924900      0.4538000     -0.6399000    
 C   -3.639400      -1.227300      -2.801900    
 C    5.759100      -2.579300     -0.2701000    
 H   -4.589000      -1.477800       2.037500    
 H   -4.510800      -2.804500     -7.1699999E-02
 H   -3.044000      -1.988500     -0.5318000    
 H   -3.610800      0.6591000       1.316600    
 H   -2.759700     -1.7200001E-02   2.705600    
 H   0.6128000      -1.127100      0.6133000    
 H    5.067100       1.515600     -0.6971000    
 H   -1.391900     -0.9800000      0.4901000    
 H   -6.677500      -1.604500     -5.5900000E-02
 H   -5.993000     -0.3932000       1.031400    
 H   -5.574900      -1.997100      -2.261700    
 H   -5.492300     -0.2626000      -2.602300    
 H   0.6245000       4.402700     -0.1712000    
 H    2.615900       4.016800      -1.454400    
 H    2.978700       4.257200      0.2790000    
 H    4.115000       3.416500     -0.7637000    
 H    2.597000      -3.119200      0.4651000    
 H    6.780400     -0.7236000     -0.7419000    
 H   -1.769000       4.233200      0.3531000    
 H   -7.781600      0.6816000      4.6000001E-03
 H   -7.335700      0.1831000      -1.617400    
 H   -6.339900       1.374500     -0.7410000    
 H   -3.788600      -1.172400      -3.886400    
 H   -3.160100      -2.191700      -2.607600    
 H   -2.949600     -0.4209000      -2.529300    
 H   -3.376600      -3.361000       1.888500    
 H    6.640900      -3.205900     -0.3665000    


%chk=000158473-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158473

0 1
O -2.788411 -2.300776 2.093864
N -5.002444 -0.923192 -0.665941
N 4.475749 0.610494 -0.611549
N -1.696540 0.009914 1.224452
N -1.729845 2.251549 0.572913
N 4.624994 -3.464838 0.411446
C 3.126082 0.930954 -0.338173
C 2.478910 -0.268714 0.149973
C -3.727668 -1.350211 1.446357
C -3.931567 -1.728818 -0.041463
C 0.399969 0.989521 0.369198
C 2.459005 2.152517 -0.492045
C 1.063949 2.183216 -0.134737
C -3.103479 0.039739 1.636176
C 3.488817 -1.323524 0.156717
C 1.124059 -0.229850 0.497228
C -1.020515 1.102359 0.723520
C 4.711607 -0.737134 -0.322196
C -6.358929 -1.488503 -0.430467
C -4.749765 -0.586490 -2.094227
C 0.277696 3.379941 -0.270066
C 3.158309 3.393646 -1.013792
C 3.503677 -2.690776 0.510207
C 5.882328 -1.513723 -0.431984
C -1.072092 3.353607 0.076192
C -7.476717 -0.429361 -0.483667
C -3.600765 0.420370 -2.289625
C 5.773698 -2.871008 -0.050418
H -4.704459 -1.370798 1.973127
H -4.142220 -2.829150 -0.109826
H -2.977627 -1.554494 -0.568638
H -3.647737 0.775730 1.024103
H -3.194077 0.344494 2.698648
H 0.640840 -1.144535 0.856379
H 5.171268 1.261420 -0.967200
H -1.199828 -0.842731 1.485231
H -6.584348 -2.313341 -1.154260
H -6.362703 -1.949139 0.575690
H -4.555602 -1.508481 -2.700499
H -5.677806 -0.139322 -2.494118
H 0.723209 4.304813 -0.643565
H 2.678691 3.768980 -1.937330
H 3.125398 4.215690 -0.274154
H 4.220866 3.211217 -1.250582
H 2.605514 -3.196005 0.884039
H 6.833504 -1.108527 -0.790703
H -1.692844 4.251151 -0.028425
H -8.455117 -0.890130 -0.251759
H -7.557599 0.038365 -1.481271
H -7.277456 0.370588 0.250489
H -3.513510 0.692912 -3.357911
H -2.624732 0.013247 -1.970311
H -3.784777 1.335788 -1.701608
H -3.098188 -3.227566 1.934993
H 6.648429 -3.528188 -0.113532


