%chk=000120810.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120810

0 1
 O   0.9078000      6.6699997E-02  -2.044900    
 N   -1.628200     -0.6374000      -2.001600    
 C   0.9382000      0.1566000     -0.6077000    
 C  -0.5150000      0.5781000     -0.1936000    
 C   -1.659100     -0.4140000     -0.5468000    
 C    1.990800       1.183000     -0.1695000    
 C    1.341800      -1.236700     -8.6800002E-02
 C   -3.041700      1.8200001E-02 -9.7499996E-02
 C    3.288300       1.009700     -0.5875000    
 C    1.468800      -1.410400       1.266800    
 C    1.592200       2.232400      0.6229000    
 C    1.554400      -2.234000      -1.002800    
 C   -3.489300     -0.3567000       1.155800    
 C   -3.820200      0.7761000     -0.9523000    
 C    4.245500       1.942600     -0.1887000    
 C    1.834600      -2.671300       1.738300    
 C    2.549400       3.165400       1.021600    
 C    1.920100      -3.494800     -0.5314000    
 C    3.876100       3.020400      0.6157000    
 C    2.060200      -3.713400      0.8391000    
 C   -4.761000      4.0600002E-02   1.568900    
 C   -5.091800       1.173400     -0.5393000    
 C   -5.562200      0.8056000      0.7214000    
 H  -0.5714000      0.7069000      0.8958000    
 H  -0.7595000       1.547700     -0.6526000    
 H   -1.446700      -1.384700     -8.2599998E-02
 H   0.9528000      0.9692000      -2.404900    
 H   -1.671900      0.2409000      -2.513400    
 H   -2.415000      -1.213400      -2.295000    
 H    3.589500      0.1810000      -1.220200    
 H    1.289800     -0.6111000       1.978400    
 H   0.5834000       2.407600      0.9712000    
 H    1.457400      -2.114500      -2.075700    
 H   -2.870900     -0.9499000       1.823000    
 H   -3.484600       1.105200      -1.929800    
 H    5.278100       1.830800     -0.5062000    
 H    1.942100      -2.842000       2.805500    
 H    2.262800       4.005700       1.647400    
 H    2.095500      -4.307000      -1.230900    
 H    4.621300       3.747200      0.9257000    
 H    2.344500      -4.695200       1.206100    
 H   -5.126900     -0.2448000       2.550900    
 H   -5.713900       1.774100      -1.196400    
 H   -6.551800       1.116300       1.043600    


%chk=000120810-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120810

0 1
O 1.088740 0.100826 -2.177895
N -1.738488 -0.453025 -2.287953
C 0.915739 0.203128 -0.692850
C -0.559057 0.586881 -0.367276
C -1.645177 -0.434142 -0.812785
C 1.930293 1.253756 -0.183550
C 1.251148 -1.191024 -0.133178
C -2.989208 -0.034739 -0.192077
C 3.302894 1.051802 -0.492921
C 1.315505 -1.375866 1.271759
C 1.563210 2.410597 0.547369
C 1.477363 -2.299341 -0.983060
C -3.388678 -0.575945 1.055858
C -3.830557 0.911031 -0.829372
C 4.280939 1.980393 -0.084690
C 1.591973 -2.647343 1.817509
C 2.544770 3.342777 0.960706
C 1.756723 -3.573673 -0.436050
C 3.904941 3.133003 0.647042
C 1.812183 -3.754664 0.963952
C -4.601986 -0.176600 1.661004
C -5.044992 1.310920 -0.227946
C -5.434739 0.771045 1.020634
H -0.653101 0.709200 0.727692
H -0.796869 1.563579 -0.833809
H -1.361848 -1.424052 -0.381482
H 1.049345 1.021348 -2.542774
H -0.818318 -0.565237 -2.730252
H -2.442581 -1.109988 -2.640195
H 3.591297 0.156920 -1.054979
H 1.166276 -0.519487 1.940825
H 0.515832 2.598785 0.802165
H 1.443953 -2.152324 -2.065539
H -2.749337 -1.319548 1.550086
H -3.520522 1.304653 -1.803529
H 5.334535 1.807181 -0.331356
H 1.642770 -2.773745 2.904953
H 2.243465 4.231207 1.527219
H 1.931942 -4.423729 -1.105522
H 4.663512 3.855344 0.968751
H 2.029529 -4.742275 1.386165
H -4.901266 -0.607569 2.623524
H -5.689408 2.041127 -0.731708
H -6.378449 1.078910 1.485535


