%chk=000003968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003968

0 1
 O   -2.794700     -3.0200001E-02 -0.3932000    
 N    3.552100      1.8100001E-02 -0.2302000    
 C   -1.481000      -2.532200     -8.0899999E-02
 C   -1.519200       2.490300     -7.1199998E-02
 C  -0.7624000      -1.184900      0.1001000    
 C  -0.8016000       1.192100      9.9900000E-02
 C   -1.469600     -2.0800000E-02 -6.8899997E-02
 C    1.239600     -1.4000000E-03  0.5961000    
 C   0.5715000      -1.214100      0.4274000    
 C   0.5531000       1.201600      0.4324000    
 C   -2.667400      -2.743000      0.8869000    
 C  -0.4859000      -3.688100      0.1591000    
 C   -2.040500      -2.633900      -1.516500    
 C   -2.706500       2.470100      -1.089100    
 C   -2.134800       2.976500       1.276800    
 C  -0.5543000       3.605400     -0.5786000    
 C    2.688000      8.8999998E-03  0.9515000    
 C    4.953000      3.8100000E-02  0.1584000    
 C    5.860600      4.7600001E-02  -1.060000    
 H    1.166200      -2.106300      0.5684000    
 H    1.104800       2.120600      0.5968000    
 H   -3.080100      -3.754400      0.7912000    
 H   -2.346100      -2.612700       1.927100    
 H   -3.494900      -2.049800      0.7140000    
 H  -9.5500000E-02  -3.706800       1.183900    
 H   0.3417000      -3.691600     -0.5607000    
 H  -0.9931000      -4.652400      1.9700000E-02
 H   -1.262600      -2.417600      -2.258600    
 H   -2.404800      -3.649200      -1.716600    
 H   -2.881300      -1.964000      -1.714200    
 H   -2.977900       3.491800      -1.385400    
 H   -2.439900       1.939700      -2.010600    
 H   -3.632800       2.058000     -0.6783000    
 H   -1.357000       3.104500       2.038900    
 H   -2.647200       3.937800       1.156900    
 H   -2.858800       2.253100       1.668600    
 H   -1.105400       4.519800     -0.8314000    
 H   0.1753000       3.910400      0.1793000    
 H  -1.6200000E-02   3.290500      -1.480500    
 H    2.896500      0.8886000       1.574700    
 H    2.913300     -0.8631000       1.579900    
 H   -3.269600      0.3192000      0.3816000    
 H    3.368800     -0.8123000     -0.7935000    
 H    5.194700     -0.8395000      0.7698000    
 H    5.166800      0.9316000      0.7566000    
 H    5.710300     -0.8475000      -1.673000    
 H    5.673200      0.9268000      -1.685600    
 H    6.910300      7.1599998E-02 -0.7500000    


%chk=000003968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003968

0 1
O -2.877411 -0.102225 -0.167150
N 3.596599 0.367173 -0.223565
C -1.809589 -2.743578 0.217101
C -1.273157 2.437069 -0.224908
C -0.924059 -1.469899 0.206137
C -0.665506 1.020558 -0.007618
C -1.470990 -0.164260 0.011734
C 1.310754 -0.411994 0.389939
C 0.477771 -1.551476 0.388856
C 0.726320 0.855998 0.187447
C -2.849948 -2.660436 1.376496
C -0.971140 -4.032154 0.439409
C -2.546954 -2.899726 -1.148536
C -1.966354 2.541929 -1.623734
C -2.268394 2.798747 0.926556
C -0.180275 3.541814 -0.207155
C 2.809320 -0.543844 0.637672
C 5.052457 0.359211 0.031490
C 5.781267 1.328052 -0.915255
H 0.939614 -2.532389 0.536512
H 1.397712 1.717120 0.176666
H -3.477974 -3.571956 1.381717
H -2.337518 -2.590424 2.354310
H -3.505394 -1.783580 1.260761
H -0.443018 -4.021661 1.411143
H -0.227463 -4.187744 -0.364428
H -1.650418 -4.904386 0.438582
H -1.818401 -2.998667 -1.975066
H -3.173895 -3.811892 -1.132132
H -3.194175 -2.033154 -1.352908
H -2.372927 3.560564 -1.766743
H -1.229475 2.347447 -2.423548
H -2.799181 1.831543 -1.784335
H -1.736239 2.799591 1.894755
H -2.687087 3.808960 0.760469
H -3.120121 2.101829 1.037895
H -0.656842 4.526840 -0.366062
H 0.351314 3.578054 0.760498
H 0.567085 3.395774 -1.007643
H 3.044487 -0.272841 1.689049
H 3.104098 -1.617887 0.524818
H -3.163131 0.831378 -0.304689
H 3.381794 0.217656 -1.219906
H 5.503098 -0.662149 -0.063879
H 5.214297 0.674792 1.081816
H 5.656299 1.023504 -1.972325
H 5.376975 2.349430 -0.803139
H 6.864475 1.350187 -0.698101


