%chk=000078091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078091

0 1
 O   -3.375600     -0.2735000     -0.2854000    
 N  -0.6400000      0.2874000      0.2654000    
 N    3.037800     -0.3447000      0.2278000    
 C   0.7544000      0.4573000     -0.1375000    
 C   -1.102300      -1.078400     -1.8300001E-02
 C   -1.502500       1.262600     -0.4160000    
 C    1.648200     -0.5020000      0.6428000    
 C   -2.562700      -1.228100      0.3984000    
 C   -2.953200       1.058000      1.1200000E-02
 C    3.507900       1.013000      0.5071000    
 C    3.188000     -0.6517000      -1.195500    
 H   0.8265000      0.3112000      -1.220500    
 H    1.026800       1.495900      7.7600002E-02
 H  -0.5563000      -1.833800      0.5513000    
 H   -1.000200      -1.305800      -1.087300    
 H   -1.424400       1.146000      -1.504900    
 H   -1.199500       2.284600     -0.1611000    
 H    1.555500     -0.3260000       1.722400    
 H    1.395000      -1.554000      0.4851000    
 H   -2.927000      -2.225400      0.1315000    
 H   -2.689900      -1.107800       1.481300    
 H   -3.092100       1.256700       1.080900    
 H   -3.604300       1.744100     -0.5401000    
 H    3.300900       1.299900       1.544500    
 H    3.098500       1.777700     -0.1613000    
 H    4.598200       1.045200      0.3936000    
 H    2.794800      0.1180000      -1.867700    
 H    2.728000      -1.613800      -1.448300    
 H    4.255000     -0.7548000      -1.427100    


%chk=000078091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078091

0 1
O -3.612010 -0.193384 -0.066552
N -0.732281 0.209930 0.130082
N 3.103353 -0.230490 0.199511
C 0.660856 0.355302 -0.359165
C -1.310593 -1.134420 -0.135016
C -1.630997 1.260735 -0.417851
C 1.674762 -0.473418 0.484966
C -2.719878 -1.232973 0.472454
C -3.032297 1.133824 0.200762
C 3.605727 1.097852 0.583028
C 3.569041 -0.679347 -1.122556
H 0.748898 0.079572 -1.441729
H 0.927751 1.426471 -0.273993
H -0.671158 -1.910403 0.322952
H -1.369118 -1.339686 -1.235088
H -1.718442 1.188064 -1.532140
H -1.210310 2.254625 -0.172597
H 1.483435 -0.247644 1.551604
H 1.489926 -1.555693 0.341964
H -3.196984 -2.193201 0.215037
H -2.653001 -1.132184 1.577404
H -2.969572 1.300490 1.297970
H -3.733556 1.858038 -0.246155
H 3.276973 1.335161 1.610998
H 3.273783 1.933085 -0.085009
H 4.711877 1.089471 0.573261
H 3.229889 -0.039224 -1.975495
H 3.214225 -1.709360 -1.309825
H 4.675200 -0.693392 -1.138922


