%chk=000044799.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044799

0 1
 O  -0.1021000      -2.044900      6.0000001E-03
 N   -5.655400       1.025300     -2.8700000E-02
 C    3.349800      0.5208000     -3.8999999E-03
 C    2.191600     -0.4797000      3.8500000E-02
 C    4.728000     -0.1438000      8.7000001E-03
 C   0.8133000      0.1853000      5.2299999E-02
 C    5.845900      0.8993000     -2.1700000E-02
 C  -0.3156000     -0.8348000      1.8800000E-02
 C    7.218000      0.2446000     -4.6999998E-02
 C   -1.725300     -0.3437000      7.6000001E-03
 C   -1.950400       1.013600      2.8000001E-02
 C   -2.744800      -1.267400     -2.3900000E-02
 C   -3.267600       1.472500      1.6400000E-02
 C   -4.061900     -0.8084000     -3.5599999E-02
 C   -4.323400      0.5615000     -1.5300000E-02
 H    3.254400       1.140400     -0.9042000    
 H    3.267800       1.197300      0.8560000    
 H    2.295200      -1.115700      0.9270000    
 H    2.266700      -1.147000     -0.8297000    
 H    4.828100     -0.7655000      0.9065000    
 H    4.819400     -0.8097000     -0.8579000    
 H   0.7221000      0.7877000      0.9627000    
 H   0.7294000      0.8306000     -0.8293000    
 H    5.772500       1.549700      0.8576000    
 H    5.737000       1.536600     -0.9070000    
 H    7.372100     -0.3772000      0.8406000    
 H    7.335400     -0.3865000     -0.9337000    
 H    8.001900       1.008100     -6.7299999E-02
 H   -1.162100       1.756900      5.3700000E-02
 H   -2.563300      -2.337500     -4.0399998E-02
 H   -3.459000       2.542500      3.2200001E-02
 H   -4.876200      -1.528300     -6.0899999E-02
 H   -6.421100      0.3650000     -4.9100000E-02
 H   -5.845700       2.018400     -1.1400000E-02


%chk=000044799-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044799

0 1
O -0.090846 -2.083000 -0.009762
N -5.770687 0.994724 0.008004
C 3.379664 0.536932 -0.005058
C 2.226574 -0.490236 -0.002848
C 4.775497 -0.126496 -0.003654
C 0.837806 0.174558 -0.002810
C 5.939949 0.889557 -0.007261
C -0.322203 -0.832700 -0.004737
C 7.329095 0.215239 -0.005232
C -1.721671 -0.316008 -0.001142
C -2.042900 1.070994 0.003433
C -2.798499 -1.249380 -0.002635
C -3.376050 1.510903 0.006406
C -4.132951 -0.827121 0.000363
C -4.447649 0.567479 0.004961
H 3.290707 1.195836 -0.895140
H 3.290881 1.199869 0.882039
H 2.311930 -1.153144 0.879450
H 2.310593 -1.155675 -0.883292
H 4.866906 -0.784527 0.885762
H 4.866083 -0.789987 -0.889086
H 0.732775 0.836879 0.882171
H 0.733590 0.838182 -0.887038
H 5.848604 1.552209 0.877976
H 5.848303 1.546209 -0.896919
H 7.458083 -0.423057 0.889340
H 7.458173 -0.428301 -0.896020
H 8.143894 0.962805 -0.007391
H -1.243484 1.819790 0.004593
H -2.545719 -2.315213 -0.006274
H -3.601403 2.584403 0.009894
H -4.945286 -1.564408 -0.000818
H -6.534266 0.324245 0.006964
H -6.000795 1.984438 0.011361


