%chk=000090676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090676

0 1
 O    3.021500      4.6999999E-03  0.9549000    
 N    2.480600      3.7000000E-03 -0.1590000    
 C    1.114700      -2.524100     -0.1003000    
 C    1.112200       2.530100     -0.1041000    
 C   -3.173100      7.9999998E-04  7.5599998E-02
 C   0.4081000      -1.205300     -7.1900003E-02
 C   0.4070000       1.210700     -7.3600002E-02
 C   -1.636700      1.6000000E-03  1.2300000E-02
 C    1.104500      3.0000000E-03 -0.1017000    
 C  -0.9855000      -1.206000     -1.4100000E-02
 C  -0.9867000       1.210000     -1.5600000E-02
 C   0.2405000      -3.613700     -0.7912000    
 C    1.437500      -3.018700       1.341800    
 C    2.478500      -2.533100     -0.8632000    
 C   9.5399998E-02   3.710500     -6.3100003E-02
 C    1.962800       2.681600      -1.401200    
 C    2.100700       2.785200       1.079000    
 C   -3.798500       1.414000      9.9500000E-02
 C   -3.743800     -0.7292000      -1.159500    
 C   -3.639700     -0.7258000       1.355500    
 H   -1.558200      -2.121100      3.9799999E-02
 H   -1.553300       2.122500      1.0900000E-02
 H   0.8109000      -4.538300     -0.9451000    
 H  -0.6231000      -3.912800     -0.1872000    
 H  -0.1115000      -3.283800      -1.775900    
 H   0.5204000      -3.124100       1.933500    
 H    1.936000      -3.994700       1.323900    
 H    2.088300      -2.318600       1.876000    
 H    2.759200      -3.564400      -1.118600    
 H    2.421900      -1.998800      -1.818800    
 H    3.329900      -2.186400     -0.2704000    
 H  -0.4833000       3.732900      0.8684000    
 H  -0.5786000       3.713400     -0.9284000    
 H   0.6252000       4.671500     -0.1090000    
 H    2.854200       2.051400      -1.436900    
 H    2.319500       3.713800      -1.506800    
 H    1.359500       2.455800      -2.288900    
 H    3.085200       2.336400      0.9323000    
 H    1.683900       2.417900       2.023500    
 H    2.295800       3.857600       1.203300    
 H   -3.560000       1.987200     -0.8044000    
 H   -3.488100       1.988700      0.9801000    
 H   -4.893300       1.350500      0.1436000    
 H   -3.400000     -0.2597000      -2.088900    
 H   -4.839900     -0.7046000      -1.160500    
 H   -3.450600      -1.784000      -1.196200    
 H   -3.216400     -0.2569000       2.251900    
 H   -3.350400      -1.782100       1.369100    
 H   -4.731700     -0.6960000       1.449500    


%chk=000090676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090676

0 1
O 3.393509 -0.688884 0.487814
N 2.602683 0.298447 0.236620
C 1.138019 -2.645471 -0.084326
C 1.154475 2.711195 -0.018702
C -3.210831 -0.012641 0.010283
C 0.484803 -1.228425 0.003182
C 0.459498 1.313044 0.011628
C -1.666521 0.044950 -0.000242
C 1.187693 0.053052 0.073514
C -0.923816 -1.163359 -0.018560
C -0.951578 1.261150 -0.010309
C 0.087249 -3.752276 -0.409848
C 1.772052 -3.041662 1.286294
C 2.180232 -2.710504 -1.243699
C 0.122937 3.868772 -0.163306
C 2.116649 2.815860 -1.243927
C 1.937739 2.974655 1.306150
C -3.863207 1.393662 0.027799
C -3.709391 -0.765013 -1.262155
C -3.680810 -0.784229 1.282262
H -1.483845 -2.098345 -0.058780
H -1.511889 2.194111 -0.033870
H 0.625652 -4.709291 -0.530990
H -0.646863 -3.897970 0.404291
H -0.455549 -3.553019 -1.352665
H 1.001291 -3.045390 2.079819
H 2.191560 -4.063150 1.212096
H 2.582785 -2.357405 1.572630
H 2.585605 -3.737840 -1.308402
H 1.697166 -2.472606 -2.209909
H 3.029829 -2.031362 -1.089396
H -0.562177 3.935224 0.702356
H -0.476773 3.785437 -1.088887
H 0.677743 4.822692 -0.214718
H 2.930806 2.080471 -1.163433
H 2.556036 3.830643 -1.282475
H 1.569975 2.644520 -2.190486
H 2.772095 2.265821 1.412278
H 1.272327 2.877139 2.184719
H 2.342337 4.004637 1.297101
H -3.600791 1.982106 -0.870852
H -3.569632 1.972796 0.922735
H -4.963045 1.286720 0.045617
H -3.397644 -0.235885 -2.181144
H -4.813701 -0.824633 -1.255096
H -3.315745 -1.795667 -1.312895
H -3.356591 -0.263697 2.201820
H -3.276353 -1.811512 1.313521
H -4.784492 -0.853572 1.294441


