%chk=000056890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056890

0 1
 O   -1.013400       1.792100     -0.4142000    
 N    3.630600     -0.3324000     -0.3639000    
 C  -0.6683000     -0.5069000      0.2436000    
 C   0.7052000     -0.4350000     -0.4202000    
 C    2.932400      -1.566700     -0.7222000    
 C    1.573000      -1.628200     -2.7700000E-02
 C    3.874400     -0.2818000       1.084500    
 C    4.886300     -0.2145000      -1.118400    
 C   -1.383100      -1.797000     -0.1557000    
 C    4.560600       1.025600       1.483100    
 C    5.605400       1.095400     -0.7919000    
 C    5.855500       1.232000      0.7056000    
 C   -2.743500      -1.886300      0.5250000    
 C   -1.513300      0.7084000     -0.1243000    
 C   -3.577700     -0.6661000      0.2466000    
 C   -2.993000      0.5725000     -5.8100000E-02
 C   -4.974600     -0.7543000      0.3337000    
 C   -3.797200       1.693700     -0.2988000    
 C   -5.773700      0.3642000      9.6100003E-02
 C   -5.185500       1.585400     -0.2226000    
 H  -0.5392000     -0.4784000       1.334000    
 H   0.5936000     -0.3935000      -1.511800    
 H    1.189300      0.5027000     -0.1228000    
 H    3.522300      -2.452600     -0.4536000    
 H    2.772900      -1.603100      -1.807600    
 H    1.646100      -1.738700       1.058400    
 H    1.119500      -2.558600     -0.3855000    
 H    4.485900      -1.133700       1.409900    
 H    2.944800     -0.3052000       1.659700    
 H    4.675900     -0.2277000      -2.194700    
 H    5.551100      -1.062100     -0.9055000    
 H  -0.8270000      -2.688500      0.1462000    
 H   -1.510500      -1.839500      -1.245700    
 H    4.773400       1.020100       2.558200    
 H    3.883400       1.868700       1.295200    
 H    5.001300       1.942800      -1.140400    
 H    6.558300       1.139000      -1.331400    
 H    6.275400       2.218900      0.9287000    
 H    6.595500      0.4870000       1.022700    
 H   -2.618500      -1.987000       1.610000    
 H   -3.258900      -2.784300      0.1638000    
 H   -5.449700      -1.699500      0.5852000    
 H   -3.362600       2.659700     -0.5413000    
 H   -6.854700      0.2824000      0.1613000    
 H   -5.808300       2.455900     -0.4073000    


%chk=000056890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056890

0 1
O -0.867337 1.678764 -0.134290
N 3.730742 -0.401034 -0.239168
C -0.730491 -0.756179 0.141580
C 0.701370 -0.682033 -0.438706
C 3.067580 -1.704713 -0.483691
C 1.632395 -1.797202 0.083549
C 4.007428 -0.146949 1.196405
C 4.958312 -0.247008 -1.060506
C -1.574588 -1.925552 -0.426406
C 4.578026 1.270043 1.412442
C 5.554553 1.167884 -0.918754
C 5.851048 1.487740 0.563906
C -2.955178 -2.003543 0.256507
C -1.485273 0.579843 -0.008123
C -3.703006 -0.681473 0.169163
C -2.986226 0.545696 0.039613
C -5.117718 -0.640825 0.219438
C -3.693071 1.777078 -0.032966
C -5.813280 0.585434 0.150073
C -5.097915 1.802741 0.023449
H -0.648644 -0.915922 1.244239
H 0.647494 -0.731761 -1.546106
H 1.141651 0.301564 -0.201752
H 3.674009 -2.556304 -0.072801
H 3.021147 -1.846843 -1.581907
H 1.656846 -1.766820 1.192124
H 1.239426 -2.798789 -0.185835
H 4.732444 -0.904186 1.603900
H 3.067614 -0.255177 1.766677
H 4.694187 -0.442717 -2.117205
H 5.738698 -1.002184 -0.767660
H -1.031716 -2.878008 -0.283244
H -1.703066 -1.783557 -1.518388
H 4.794492 1.417887 2.488283
H 3.807523 2.009039 1.119673
H 4.826718 1.900747 -1.317094
H 6.476230 1.241384 -1.528111
H 6.218086 2.525965 0.672339
H 6.657329 0.818075 0.930208
H -2.811541 -2.270501 1.325714
H -3.567738 -2.811814 -0.185174
H -5.677491 -1.579894 0.309143
H -3.106374 2.696541 -0.131567
H -6.908597 0.594694 0.188662
H -5.636699 2.754770 -0.031734


