%chk=000095311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095311

0 1
 O    1.006200      -4.016700     -0.4178000    
 N    1.420500      -2.031500      0.6987000    
 N  -0.5280000      -2.283900     -0.3737000    
 C   0.7616000     -0.7733000      0.9390000    
 C  -0.5111000      -1.109900      0.1853000    
 C    1.504000      0.3675000      0.3480000    
 C   -1.615000     -0.1657000      0.1161000    
 C   0.6658000      -2.892900     -6.9899999E-02
 C    2.278600       1.201700       1.160800    
 C    1.434800      0.6177000      -1.026400    
 C   -1.833500      0.7300000       1.162800    
 C   -2.455400     -0.1560000     -0.9970000    
 C    2.976200       2.274400      0.6054000    
 C    2.132400       1.690200      -1.581900    
 C    2.903100       2.518600     -0.7660000    
 C   -2.892600       1.635300       1.096500    
 C   -3.514500      0.7494000      -1.063400    
 C   -3.733000       1.645100     -1.6600000E-02
 H   0.5752000     -0.6808000       2.012700    
 H    2.340600      -2.264800       1.059200    
 H    2.345000       1.022200       2.230800    
 H   0.8638000     -1.6500000E-02  -1.698600    
 H   -1.205300      0.7404000       2.048400    
 H   -2.299000     -0.8415000      -1.825900    
 H    3.576700       2.919100       1.240500    
 H    2.079800       1.877800      -2.650300    
 H    3.447200       3.352900      -1.198800    
 H   -3.064500       2.331100       1.912600    
 H   -4.168200      0.7582000      -1.930700    
 H   -4.557700       2.349800     -6.8099998E-02


%chk=000095311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095311

0 1
O 0.947360 -4.080497 -0.809255
N 1.431005 -2.130759 0.457570
N -0.630045 -2.257178 -0.574552
C 0.779816 -0.855463 0.777094
C -0.572057 -1.090715 0.046840
C 1.582924 0.366075 0.321739
C -1.699293 -0.143098 0.063409
C 0.642551 -2.956731 -0.354493
C 2.096358 1.275098 1.278160
C 1.848722 0.582388 -1.053832
C -1.635874 1.090784 0.767850
C -2.892582 -0.481805 -0.636782
C 2.861912 2.390793 0.869250
C 2.611059 1.696502 -1.463382
C 3.119522 2.604776 -0.503729
C -2.742467 1.965569 0.770782
C -3.993384 0.394582 -0.632835
C -3.922806 1.622142 0.071616
H 0.589641 -0.769164 1.867917
H 2.388819 -2.361146 0.714492
H 1.904084 1.106985 2.346074
H 1.460544 -0.120328 -1.800812
H -0.723419 1.377393 1.299467
H -2.925927 -1.436905 -1.170103
H 3.257796 3.086165 1.617546
H 2.809148 1.859111 -2.528504
H 3.711884 3.468775 -0.824292
H -2.684639 2.914928 1.313971
H -4.906523 0.125520 -1.174514
H -4.780430 2.304101 0.075009


