%chk=000052965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052965

0 1
 O   -3.968300      0.4852000       1.463000    
 N    2.304100       2.157600      0.2705000    
 C    1.438400     -0.1660000      4.4000000E-03
 C    1.209100       1.309200     -0.2321000    
 C    3.898400      0.2912000      0.3454000    
 C    3.593900       1.674800     -0.2378000    
 C    2.734000     -0.6586000      0.2367000    
 C   0.3627000      -1.061300     -7.1400002E-02
 C    2.929500      -2.032700      0.4269000    
 C    2.084600       3.552000     -0.1116000    
 C   0.5688000      -2.428700      0.1096000    
 C  -0.9903000     -0.6142000     -0.3483000    
 C    1.850400      -2.913600      0.3609000    
 C   -1.837100     -0.2760000      0.7039000    
 C   -1.434700     -0.5276000      -1.665000    
 C   -3.137600      0.1520000      0.4376000    
 C   -2.735200     -9.9600002E-02  -1.931500    
 C   -3.586700      0.2402000     -0.8801000    
 C   -5.284100      0.9163000       1.118900    
 H    1.067100       1.463300      -1.310400    
 H   0.2976000       1.628000      0.2855000    
 H    4.158000      0.3910000       1.407100    
 H    4.768900     -0.1269000     -0.1740000    
 H    4.403700       2.353700      5.6499999E-02
 H    3.589500       1.631700      -1.335500    
 H    3.923900      -2.422900      0.6275000    
 H    2.868300       4.192500      0.3078000    
 H    1.133000       3.916400      0.2913000    
 H    2.074100       3.687800      -1.199100    
 H  -0.2579000      -3.133600      5.6100000E-02
 H    2.009800      -3.978200      0.5050000    
 H   -1.495900     -0.3408000       1.734800    
 H  -0.7830000     -0.7883000      -2.495600    
 H   -3.083900     -3.1099999E-02  -2.957900    
 H   -4.583400      0.5649000      -1.158300    
 H   -5.264100       1.842500      0.5347000    
 H   -5.806100       1.140200       2.055000    
 H   -5.850000      0.1225000      0.6195000    


%chk=000052965-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052965

0 1
O -4.318152 -0.230888 1.495428
N 2.601849 2.155268 -0.089639
C 1.493240 -0.093352 -0.044832
C 1.407310 1.370614 -0.470701
C 4.026687 0.177887 0.232011
C 3.839825 1.487734 -0.550350
C 2.756312 -0.662147 0.276025
C 0.312389 -0.894010 0.059840
C 2.837522 -2.015923 0.686090
C 2.495478 3.552642 -0.546810
C 0.421463 -2.241270 0.492166
C -1.058267 -0.365549 -0.246235
C 1.676865 -2.806040 0.799180
C -2.082892 -0.494906 0.720668
C -1.379280 0.214099 -1.507179
C -3.399230 -0.049811 0.447442
C -2.691816 0.650608 -1.774187
C -3.716121 0.529380 -0.805637
C -5.696626 0.206800 1.268676
H 1.251480 1.417298 -1.583318
H 0.515191 1.839569 -0.015922
H 4.321476 0.431603 1.269154
H 4.855612 -0.411614 -0.206411
H 4.695749 2.163277 -0.368716
H 3.806200 1.278526 -1.652638
H 3.819589 -2.443766 0.924234
H 3.369469 4.127638 -0.192954
H 1.586348 4.014842 -0.121686
H 2.441526 3.652040 -1.661992
H -0.487446 -2.848900 0.563871
H 1.746532 -3.851886 1.117908
H -1.871297 -0.925152 1.704685
H -0.611105 0.289845 -2.283272
H -2.930068 1.084837 -2.751862
H -4.727588 0.877389 -1.034788
H -5.748139 1.296009 1.073610
H -6.229338 -0.027646 2.202011
H -6.161249 -0.342146 0.426132


