%chk=000034209.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034209

0 1
 O   -4.598300     -0.2783000      3.5000001E-03
 N   -2.527200      0.8491000     -7.9999998E-04
 C  -0.2295000      7.8100003E-02 -1.0000000E-03
 C   0.4630000       1.424900     -6.9999998E-04
 C   0.7214000     -0.9670000     -7.9999998E-04
 C    1.922600       1.021400     -3.9999999E-04
 C    2.046800     -0.3862000     -5.0000002E-04
 C   -1.588900     -0.1811000     -7.9999998E-04
 C   0.3124000      -2.290100     -3.9999999E-04
 C    3.034500       1.845300      3.9999999E-04
 C    3.296900     -0.9822000      3.9999999E-04
 C   -2.000800      -1.515000     -3.0000001E-04
 C   -1.059700      -2.559000     -9.9999997E-05
 C    4.294500       1.244100      1.1000000E-03
 C    4.424500     -0.1554000      1.1000000E-03
 C   -3.926000      0.7477000     -1.9999999E-04
 C   -4.586200       2.103600     -3.9999999E-04
 H   0.2198000       1.988400      0.9049000    
 H   0.2202000       1.988500     -0.9064000    
 H    1.026800      -3.106600     -9.9999997E-05
 H    2.935900       2.925100      5.0000002E-04
 H    3.413100      -2.060900      5.0000002E-04
 H   -3.037600      -1.824400     -3.0000001E-04
 H   -1.403700      -3.590200      1.9999999E-04
 H    5.187000       1.864300      1.8000000E-03
 H    5.416400     -0.5998000      1.9000000E-03
 H   -2.142300       1.791000     -1.4000000E-03
 H   -4.310100       2.648700      0.9065000    
 H   -5.673100       1.986800     -2.8400000E-02
 H   -4.268100       2.671200     -0.8795000    


%chk=000034209-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034209

0 1
O -4.632320 -0.269712 -0.002907
N -2.553794 0.828787 -0.002269
C -0.250525 0.041720 -0.000692
C 0.437616 1.404903 -0.001264
C 0.718939 -0.999785 0.000334
C 1.918117 1.032500 -0.000494
C 2.062364 -0.387341 0.000419
C -1.633082 -0.259410 -0.001041
C 0.324352 -2.355720 0.001009
C 3.047825 1.867982 -0.000619
C 3.346341 -0.975639 0.001197
C -2.036458 -1.625003 -0.000340
C -1.058478 -2.646465 0.000672
C 4.337137 1.276803 0.000159
C 4.482431 -0.132982 0.001052
C -3.952791 0.796698 -0.002143
C -4.595470 2.185936 0.000980
H 0.176169 2.012418 0.890428
H 0.176864 2.011320 -0.893906
H 1.065134 -3.162061 0.001724
H 2.943235 2.959311 -0.001312
H 3.465929 -2.064852 0.001881
H -3.101012 -1.863748 -0.000791
H -1.393546 -3.689794 0.001136
H 5.228548 1.913990 0.000074
H 5.486164 -0.572715 0.001636
H -2.131175 1.759765 -0.002660
H -4.329494 2.748581 0.915303
H -5.687657 2.065387 -0.032192
H -4.277060 2.781126 -0.875075


