%chk=000017667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017667

0 1
 O    5.000400       1.303900      0.2614000    
 N    4.480800      1.0400000E-02  0.1574000    
 N   -1.108400      3.8999999E-03 -0.6163000    
 N   -1.693900     -8.9999998E-04  0.4921000    
 C    3.040400      8.9999996E-03 -4.1700002E-02
 C    4.895700     -0.6980000       1.442300    
 C    5.233500     -0.6370000      -1.000000    
 C    2.351300      -1.199800     -0.1420000    
 C    2.347500       1.216200     -0.1328000    
 C   0.9697000      -1.201400     -0.3337000    
 C   0.9658000       1.214600     -0.3245000    
 C   0.2838000      5.7999999E-03 -0.4240000    
 C   -3.079300     -2.4000001E-03  0.3013000    
 C   -3.768000      -1.211400      0.2019000    
 C   -3.772500       1.204600      0.2097000    
 C   -5.149700      -1.213400      1.0800000E-02
 C   -5.154200       1.202500      1.8800000E-02
 C   -5.842800     -6.5000001E-03 -8.0700003E-02
 H    4.353700     -0.2227000       2.265200    
 H    4.647600      -1.758400       1.357400    
 H    5.974400     -0.5604000       1.562600    
 H    6.303700     -0.5104000     -0.8117000    
 H    4.968600      -1.696000      -1.042900    
 H    4.938600     -0.1122000      -1.913300    
 H    2.865600      -2.154100     -7.6800004E-02
 H    2.843700       2.179500     -6.1500002E-02
 H   0.4407000      -2.147500     -0.4119000    
 H   0.4333000       2.159300     -0.3955000    
 H   -3.237000      -2.157200      0.2726000    
 H   -3.245000       2.151900      0.2866000    
 H   -5.685900      -2.154700     -6.6600002E-02
 H   -5.694100       2.142200     -5.2400000E-02
 H   -6.918600     -8.0000004E-03 -0.2294000    


%chk=000017667-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017667

0 1
O 4.910398 0.558343 1.688689
N 4.617643 -0.092906 0.453851
N -1.073758 -0.340225 -0.453983
N -1.853128 0.190949 0.453087
C 3.108876 -0.167544 0.190108
C 5.184436 -1.512147 0.516403
C 5.283502 0.697674 -0.673745
C 2.582977 -0.774081 -0.971136
C 2.277893 0.402753 1.173705
C 1.184333 -0.807346 -1.142302
C 0.882810 0.369151 0.999443
C 0.327815 -0.238424 -0.162554
C -3.255283 0.090217 0.168515
C -4.108558 0.671209 1.143921
C -3.811226 -0.532476 -0.985668
C -5.508340 0.632934 0.972464
C -5.208063 -0.565845 -1.148675
C -6.061029 0.014730 -0.173690
H 4.674482 -2.015929 1.349245
H 5.035234 -2.064646 -0.428135
H 6.253654 -1.405011 0.750060
H 6.351589 0.755566 -0.418419
H 5.133566 0.225634 -1.660964
H 4.844436 1.704701 -0.650816
H 3.231305 -1.216336 -1.735235
H 2.787842 0.847966 2.034950
H 0.729791 -1.267442 -2.025451
H 0.204744 0.801004 1.741404
H -3.648834 1.141475 2.019472
H -3.134266 -0.973307 -1.723856
H -6.164794 1.081420 1.725764
H -5.642812 -1.043560 -2.033979
H -7.147833 -0.017102 -0.310074


