%chk=000017911.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017911

0 1
 O    2.609200       2.414500      0.7155000    
 N    2.930800      9.8999999E-02  0.7905000    
 C    2.187500     -0.6466000     -0.2663000    
 C   0.7127000     -0.4438000     -0.1760000    
 C    2.852800     -0.1931000      -1.596500    
 C    2.547100      -2.139500     -5.6400001E-02
 C   2.6600000E-02 -0.8199000      0.9789000    
 C   1.9500000E-02  0.1225000      -1.245900    
 C   -2.045800     -6.3500002E-02 -5.7999999E-03
 C   -1.352600     -0.6298000       1.063900    
 C   -1.359800      0.3126000      -1.160700    
 C   -3.483800      0.1355000      8.3300002E-02
 C   -4.118500       1.278100     -0.6888000    
 C   -4.287700     -0.6744000      0.8224000    
 C    2.762000       1.248400      0.7419000    
 H    2.679200      0.8632000      -1.833500    
 H    2.483500     -0.7872000      -2.441500    
 H    3.940900     -0.3338000      -1.560000    
 H    2.271900      -2.496300      0.9423000    
 H    2.040600      -2.774700     -0.7925000    
 H    3.626900      -2.302700     -0.1571000    
 H   0.5472000      -1.246500       1.831800    
 H   0.5031000      0.4265000      -2.167600    
 H   -1.845200     -0.9123000       1.990500    
 H   -1.867600      0.7459000      -2.017900    
 H   -4.133100       1.063500      -1.762300    
 H   -3.571200       2.211600     -0.5176000    
 H   -5.154300       1.453900     -0.3770000    
 H   -5.359400     -0.5041000      0.8652000    
 H   -3.918000      -1.529600       1.377200    


%chk=000017911-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017911

0 1
O 3.585871 1.840493 2.170645
N 2.927221 -0.086413 0.829943
C 2.247926 -0.626213 -0.365758
C 0.726573 -0.367131 -0.253537
C 2.888538 0.022106 -1.620388
C 2.505141 -2.159088 -0.378119
C 0.069952 -0.547654 0.993108
C -0.063902 -0.002479 -1.367863
C -2.127875 -0.022172 -0.003154
C -1.318959 -0.374822 1.116687
C -1.459940 0.170198 -1.242887
C -3.608402 0.157567 0.108926
C -4.325661 0.858266 -1.036499
C -4.323432 -0.293099 1.181206
C 3.218483 0.928222 1.446101
H 2.682072 1.105952 -1.660367
H 2.505790 -0.447509 -2.542856
H 3.981120 -0.128529 -1.591833
H 2.115464 -2.624592 0.542529
H 1.996130 -2.616892 -1.243614
H 3.587948 -2.364417 -0.444708
H 0.661443 -0.805261 1.879217
H 0.398869 0.157091 -2.346849
H -1.778915 -0.493000 2.103288
H -2.032541 0.454009 -2.131672
H -4.273056 0.266051 -1.970711
H -3.877876 1.847056 -1.250142
H -5.391527 1.006652 -0.797107
H -5.405877 -0.138486 1.243098
H -3.866079 -0.838506 2.013315


