%chk=000133504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133504

0 1
 O    2.805600       2.864200     -0.2770000    
 N    1.211900     -0.7920000      0.5799000    
 C   -1.971800      0.1752000      0.1718000    
 C   -3.427900      0.1472000      0.6523000    
 C  -0.9180000      0.3079000       1.274500    
 C   -4.440700     -7.3000002E-03 -0.4845000    
 C   0.4791000      0.3908000      0.7586000    
 C   -5.872600     -6.1200000E-02  5.3100001E-02
 C    2.547300     -0.7310000      8.9599997E-02
 C   -6.884400     -0.2480000      -1.077200    
 C   0.9694000       1.613100      0.4880000    
 C    3.129000      0.5180000     -0.2159000    
 C    2.345900       1.757700     -2.4599999E-02
 C   0.6841000      -2.127800      0.8712000    
 C    3.350100      -1.870100     -0.1167000    
 C   -8.310500     -0.2691000     -0.5505000    
 C    4.440900      0.6234000     -0.7007000    
 C    4.659200      -1.768000     -0.6002000    
 C    5.203500     -0.5232000     -0.8917000    
 H   -1.777700     -0.7405000     -0.4013000    
 H   -1.859500       1.007100     -0.5362000    
 H   -3.639300       1.071000       1.204600    
 H   -3.549500     -0.6810000       1.361400    
 H   -1.148200       1.227800       1.833000    
 H   -1.036900     -0.4726000       2.033300    
 H   -4.338500      0.8313000      -1.183600    
 H   -4.223100     -0.9246000      -1.044800    
 H   -5.967200     -0.8870000      0.7689000    
 H   -6.094200      0.8651000      0.5972000    
 H   -6.681700      -1.185800      -1.607400    
 H   -6.783400      0.5649000      -1.805700    
 H   0.3914000       2.520100      0.6273000    
 H   0.7685000      -2.779900     -6.3999998E-03
 H  -0.3773000      -2.146700       1.126800    
 H    1.222200      -2.578400       1.712900    
 H    2.986400      -2.871200      9.8800004E-02
 H   -8.555700      0.6699000     -4.3800000E-02
 H   -9.017200     -0.4046000      -1.375100    
 H   -8.454400      -1.090400      0.1589000    
 H    4.881400       1.589000     -0.9334000    
 H    5.252100      -2.666600     -0.7463000    
 H    6.219800     -0.4465000      -1.266300    


%chk=000133504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133504

0 1
O 3.060233 2.987077 -0.110310
N 1.214446 -0.719565 0.561989
C -1.940477 0.160208 0.148115
C -3.397847 0.150053 0.660648
C -0.915821 0.441729 1.284732
C -4.432806 -0.079057 -0.463989
C 0.529128 0.481104 0.813740
C -5.891727 -0.107313 0.045272
C 2.546073 -0.691551 0.073216
C -6.927089 -0.324491 -1.081909
C 1.143042 1.706856 0.596157
C 3.196849 0.561497 -0.165444
C 2.499954 1.852068 0.094830
C 0.603988 -2.041452 0.808372
C 3.258392 -1.900119 -0.188108
C -8.382048 -0.358593 -0.566416
C 4.527761 0.578199 -0.655515
C 4.576532 -1.854883 -0.673724
C 5.222678 -0.613557 -0.911682
H -1.717429 -0.807285 -0.345386
H -1.822019 0.938134 -0.631297
H -3.614937 1.113228 1.167681
H -3.513914 -0.639917 1.432747
H -1.142961 1.433547 1.713986
H -1.062460 -0.283063 2.110199
H -4.326313 0.719806 -1.226966
H -4.208139 -1.034921 -0.982335
H -6.002230 -0.911799 0.802569
H -6.116995 0.845130 0.569252
H -6.698055 -1.273244 -1.609261
H -6.819510 0.482648 -1.835073
H 0.583536 2.622750 0.805099
H 0.551082 -2.628131 -0.127058
H -0.413931 -1.928643 1.196982
H 1.195426 -2.609753 1.549417
H 2.795338 -2.875093 -0.018955
H -8.646012 0.589481 -0.060803
H -9.100720 -0.511694 -1.392417
H -8.526101 -1.178207 0.162828
H 4.977032 1.563752 -0.819511
H 5.106171 -2.794121 -0.869301
H 6.249977 -0.590616 -1.289570


