%chk=000060224.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060224

0 1
 O    1.217200     -2.0099999E-02  0.7782000    
 N   -2.631900     -0.5590000     -0.6382000    
 N    4.695600      0.1616000     -0.4121000    
 C  -0.9781000       3.194000       1.036700    
 C   -2.271900       3.787600      0.4810000    
 C  -0.2266000       2.305100      4.5499999E-02
 C   -3.362800       2.766200      0.1613000    
 C  -0.8114000      0.9241000     -6.7100003E-02
 C   -2.999500       1.813300     -0.9762000    
 C   -2.099700      0.6883000     -0.5390000    
 C  -5.5700000E-02 -0.1909000      0.3054000    
 C  -0.5844000      -1.484100      0.2103000    
 C   -1.896300      -1.623800     -0.2732000    
 C    2.266600     -3.7999999E-02 -0.1832000    
 C   0.1597000      -2.617000      0.5832000    
 C   -2.427700      -2.907100     -0.3692000    
 C    3.588700      0.1892000      0.5324000    
 C  -0.3941000      -3.889500      0.4778000    
 C   -1.690500      -4.034500      6.9999998E-04
 C    5.973500      0.3386000      0.2819000    
 C    4.529100       1.196000      -1.436000    
 H   -1.183400       2.649800       1.967000    
 H  -0.3233000       4.033400       1.303600    
 H   0.8151000       2.271700      0.3799000    
 H  -0.1961000       2.767500     -0.9490000    
 H   -2.670400       4.491000       1.222700    
 H   -2.049100       4.380000     -0.4152000    
 H   -4.257500       3.326400     -0.1386000    
 H   -3.631100       2.207200       1.066300    
 H   -2.540400       2.351500      -1.814000    
 H   -3.929300       1.380200      -1.367300    
 H    2.279200      -1.003300     -0.7042000    
 H    2.058900      0.7453000     -0.9184000    
 H    1.172900      -2.531900      0.9682000    
 H   -3.441500      -3.046200     -0.7403000    
 H    3.548400       1.135100       1.089500    
 H    3.712600     -0.5995000       1.285800    
 H   0.1825000      -4.762300      0.7686000    
 H   -2.132100      -5.023000     -8.5000001E-02
 H    6.116900     -0.4492000       1.029900    
 H    6.038800       1.309700      0.7858000    
 H    6.809400      0.2566000     -0.4219000    
 H    5.436700       1.276700      -2.047000    
 H    4.331000       2.184300      -1.005300    
 H    3.736200      0.9435000      -2.146500    


%chk=000060224-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060224

0 1
O 1.260725 0.149608 0.748905
N -2.697538 -0.579829 -0.647500
N 4.802262 0.192345 -0.486405
C -1.171173 3.286304 1.029590
C -2.533185 3.817828 0.525191
C -0.383580 2.423204 -0.002097
C -3.580628 2.736214 0.172508
C -0.871117 0.989180 -0.106970
C -3.162804 1.785022 -0.985392
C -2.210449 0.677617 -0.566503
C -0.051505 -0.085809 0.268895
C -0.537835 -1.438808 0.230235
C -1.886620 -1.635734 -0.251131
C 2.325846 0.036453 -0.283801
C 0.232284 -2.567984 0.653090
C -2.413053 -2.964621 -0.318068
C 3.652092 0.309270 0.438180
C -0.308818 -3.854772 0.580153
C -1.637187 -4.054957 0.086026
C 6.062618 -0.139456 0.209153
C 4.958985 1.362140 -1.376020
H -1.312909 2.698098 1.957632
H -0.538953 4.155184 1.300881
H 0.679164 2.403340 0.296087
H -0.440059 2.921232 -0.992531
H -2.959671 4.490624 1.296480
H -2.357206 4.446970 -0.373347
H -4.518766 3.245312 -0.124278
H -3.821373 2.132147 1.069587
H -2.710917 2.393407 -1.796514
H -4.055847 1.288089 -1.400786
H 2.328289 -0.978600 -0.724335
H 2.127596 0.773010 -1.088169
H 1.236825 -2.401229 1.055573
H -3.435724 -3.085389 -0.688568
H 3.598018 1.308657 0.937799
H 3.763234 -0.444769 1.238382
H 0.281219 -4.717428 0.908996
H -2.047178 -5.069725 0.033564
H 5.934868 -1.068350 0.792211
H 6.413059 0.663661 0.906192
H 6.860264 -0.312622 -0.535572
H 5.777346 1.172354 -2.093033
H 5.195752 2.305417 -0.820086
H 4.037848 1.531899 -1.959402


