%chk=000011976.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011976

0 1
 O    2.288200     -5.6899998E-02  8.9999998E-04
 N   0.7214000      -2.395000     -9.9999997E-05
 N   -3.257400      0.3836000      1.2000001E-03
 C   0.1329000      -1.111700     -3.0000001E-04
 C   0.9282000      3.4400001E-02 -5.0000002E-04
 C   -1.851900      0.2661000     -3.0000001E-04
 C   -1.257300     -0.9957000     -1.9999999E-04
 C   0.3333000       1.296100     -6.9999998E-04
 C   -1.056700       1.412000     -5.0000002E-04
 C    3.019200       1.167300      5.0000002E-04
 H   -1.878300      -1.889100      3.0000001E-04
 H   0.8847000       2.229900     -6.9999998E-04
 H   -1.509400       2.400400     -3.0000001E-04
 H   0.1384000      -3.221400      3.9999999E-04
 H    1.728800      -2.485800      9.9999997E-05
 H   -3.688800       1.298200     -1.0000000E-03
 H   -3.834900     -0.4466000     -6.0000003E-04
 H    2.835500       1.748300      0.9107000    
 H    2.836200       1.747500     -0.9104000    
 H    4.082900      0.9067000      1.1000000E-03


%chk=000011976-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011976

0 1
O 2.299062 -0.111200 0.000621
N 0.787318 -2.312712 0.000254
N -3.342289 0.352554 0.000235
C 0.117719 -1.090717 0.000218
C 0.896443 0.110040 0.000294
C -1.941246 0.275822 0.000001
C -1.294797 -0.992097 0.000061
C 0.260435 1.362732 0.000207
C -1.151734 1.457359 0.000018
C 3.145651 1.072130 0.000005
H -1.893937 -1.912252 0.000081
H 0.852275 2.284435 0.000238
H -1.633593 2.441727 -0.000022
H 0.279810 -3.190727 0.000492
H 1.803318 -2.310611 0.000561
H -3.809119 1.253402 -0.001599
H -3.910803 -0.487829 -0.001627
H 2.974331 1.692963 0.903027
H 2.973930 1.692312 -0.903385
H 4.182226 0.700970 -0.000080


