%chk=000128338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128338

0 1
 O   -2.425700     -0.9886000      4.4799998E-02
 O    2.168000      -2.204900     -4.4000000E-03
 N   0.2689000     -0.9522000     -2.0000000E-02
 N   -1.779200      0.2299000     -3.7099998E-02
 N    2.410200      6.6399999E-02  1.6200000E-02
 C   0.3169000       1.387500     -1.1000000E-03
 C  -0.4102000      0.2520000     -1.9500000E-02
 C  -0.1704000       2.800300      3.4000000E-03
 C    1.787600       1.198000      1.6500000E-02
 C    1.652400      -1.086200     -2.4000001E-03
 C   -3.818700     -0.7022000      3.7000000E-03
 H  -0.2981000      -1.794800     -3.4100000E-02
 H   0.1695000       3.314100      0.9088000    
 H   -1.259800       2.879200     -3.0200001E-02
 H   0.2234000       3.338700     -0.8651000    
 H    2.386500       2.123700      3.1599998E-02
 H   -2.318100       1.085300      1.7500000E-02
 H   -4.116800     -9.6600004E-02  0.8664000    
 H   -4.361700      -1.650600      4.7200002E-02
 H   -4.085600     -0.1966000     -0.9307000    


%chk=000128338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128338

0 1
O -2.552654 -0.606039 0.834763
O 1.723495 -2.409505 -0.272591
N 0.014398 -0.865937 0.079915
N -1.855227 0.583761 0.355520
N 2.257784 -0.099168 -0.398477
C 0.393999 1.503498 -0.024934
C -0.476879 0.412743 0.160645
C -0.083343 2.937943 0.032562
C 1.749744 1.143847 -0.297231
C 1.402443 -1.193127 -0.213896
C -3.638679 -0.954013 -0.118463
H -0.610156 -1.653225 0.284211
H -0.514243 3.206883 1.019409
H -0.848039 3.157041 -0.738082
H 0.762640 3.624771 -0.140894
H 2.471504 1.959467 -0.451559
H -2.153404 1.416349 0.879743
H -4.396963 -0.151785 -0.152754
H -4.074586 -1.874222 0.301975
H -3.232734 -1.136883 -1.128360


