%chk=000043614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043614

0 1
 O  -0.1486000       2.330600     -2.0300001E-02
 O  -0.1167000      -2.311000      2.3100000E-02
 N   0.3770000      1.3400000E-02   0.000000    
 N    2.455600       1.215300     -3.1900000E-02
 C   -4.279600      0.6738000      0.3317000    
 C   -4.270400     -0.7111000     -0.3315000    
 C   -3.037600       1.502700     -3.5700001E-02
 C   -3.016700      -1.523000      3.4400001E-02
 C   -1.812400      0.6636000     -2.5500000E-02
 C   -1.803200     -0.6670000      2.4499999E-02
 C  -0.4243000       1.142200     -2.9500000E-02
 C  -0.4087000      -1.126400      2.9999999E-02
 C    1.809400      2.3300000E-02 -9.9999997E-05
 C    2.465900      -1.201400      3.1800002E-02
 C    3.856300      -1.202700      3.1300001E-02
 C    3.806800       1.174300     -3.1500001E-02
 C    4.547100      3.5999999E-03 -7.9999998E-04
 H   -2.941100       2.337300      0.6674000    
 H   -3.166700       1.930400      -1.036900    
 H   -2.908800      -2.355600     -0.6695000    
 H   -3.139200      -1.953600       1.035200    
 H   -4.321700      0.5464000       1.421300    
 H   -5.183900       1.221000      4.1900001E-02
 H   -4.315300     -0.5843000      -1.421100    
 H   -5.166700      -1.270800     -4.0800001E-02
 H    2.002200      -2.173700      6.1400000E-02
 H    4.402300      -2.141200      5.6699999E-02
 H    4.297900       2.141500     -5.7200000E-02
 H    5.630800      2.6500000E-02 -1.5000000E-03


%chk=000043614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043614

0 1
O -0.024451 2.258496 0.609985
O -0.044384 -2.369175 -0.341579
N 0.401640 -0.051826 0.081087
N 2.399101 0.957934 -0.690491
C -4.323993 0.611840 0.429563
C -4.310231 -0.589600 -0.553066
C -3.067533 1.509462 0.265405
C -3.087428 -1.518487 -0.318973
C -1.842153 0.652913 0.132017
C -1.851887 -0.690776 -0.112112
C -0.421929 1.117395 0.292912
C -0.438573 -1.192638 -0.147031
C 1.831310 -0.056656 0.016238
C 2.573178 -1.089497 0.641082
C 3.978974 -1.052643 0.530051
C 3.759086 0.989636 -0.762891
C 4.590661 0.009501 -0.174966
H -2.954913 2.206820 1.117087
H -3.163729 2.152703 -0.633370
H -2.943746 -2.214067 -1.167478
H -3.252645 -2.162855 0.568803
H -4.364268 0.229117 1.468643
H -5.235942 1.216449 0.272689
H -4.280995 -0.205950 -1.592043
H -5.244125 -1.171887 -0.449929
H 2.061876 -1.890052 1.179649
H 4.584610 -1.837178 0.995255
H 4.183990 1.828288 -1.325616
H 5.678199 0.076831 -0.274022


