%chk=000114547.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114547

0 1
 O    1.190300      0.2138000       2.085100    
 N   -2.974600      -1.075800     -4.8099998E-02
 C    1.515300     -0.8667000      8.9999998E-04
 C   0.6169000      0.1039000      0.7652000    
 C    1.452500      -2.267900      0.6234000    
 C    2.960200     -0.3508000     -3.8899999E-02
 C    2.384100      -3.244500     -9.0999998E-02
 C    3.889100      -1.330500     -0.7523000    
 C    3.817400      -2.724200     -0.1364000    
 C  -0.8147000     -0.4770000      0.9441000    
 C   0.5698000       1.528700      0.2064000    
 C   -1.659400     -0.5091000     -0.3326000    
 C   0.7490000       1.711400      -1.145000    
 C   0.3497000       2.570200       1.077600    
 C   -3.649900     -0.3068000      0.9977000    
 C   -3.791600      -1.111600      -1.261700    
 C   0.7059000       3.009300      -1.654300    
 C   0.3065000       3.868000      0.5683000    
 C   0.4846000       4.087500     -0.7977000    
 C   -4.993700     -0.9218000       1.350300    
 C   -3.107200      -1.906200      -2.361000    
 H    1.169900     -0.9823000      -1.033600    
 H   0.4509000      -2.700400      0.5448000    
 H    1.724600      -2.249200       1.684700    
 H    3.345000     -0.2017000      0.9779000    
 H    3.045300      0.6144000     -0.5456000    
 H    2.361100      -4.215700      0.4164000    
 H    2.024600      -3.411000      -1.114100    
 H    3.616500      -1.384900      -1.813500    
 H    4.920100     -0.9615000     -0.7064000    
 H    4.227100      -2.695100      0.8807000    
 H    4.442700      -3.415000     -0.7131000    
 H  -0.8227000      -1.441900       1.461800    
 H   -1.274700      0.2045000       1.670900    
 H   -1.118500      -1.129800      -1.051600    
 H   -1.764600      0.4947000     -0.7594000    
 H   0.8989000     -0.5422000       2.621100    
 H   0.8955000      0.9026000      -1.850000    
 H   0.1911000       2.424400       2.141300    
 H   -3.100000     -0.3416000       1.941300    
 H   -3.779700      0.7467000      0.7205000    
 H   -4.740000      -1.624900      -1.072700    
 H   -4.027000     -0.1043000      -1.627900    
 H   0.8378000       3.180200      -2.718800    
 H   0.1298000       4.707500       1.234400    
 H   0.4485000       5.097800      -1.194500    
 H   -5.369700     -0.4769000       2.278900    
 H   -4.916200      -2.002000       1.515100    
 H   -5.753800     -0.7320000      0.5862000    
 H   -3.826700      -2.118900      -3.160100    
 H   -2.733800      -2.869200      -1.995900    
 H   -2.283300      -1.355500      -2.825500    


%chk=000114547-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114547

0 1
O 1.155381 0.062166 2.254465
N -3.045070 -0.952488 -0.150596
C 1.511605 -0.791792 -0.060401
C 0.613669 0.104382 0.864805
C 1.458570 -2.296717 0.322703
C 2.984986 -0.304353 -0.078303
C 2.339493 -3.160165 -0.613864
C 3.866875 -1.165808 -1.011889
C 3.802919 -2.663408 -0.634284
C -0.868673 -0.388365 0.952020
C 0.640748 1.591882 0.467328
C -1.641418 -0.511426 -0.379111
C 0.602999 2.002218 -0.890840
C 0.636130 2.591767 1.472846
C -3.937129 0.172978 0.245015
C -3.591572 -1.748902 -1.281873
C 0.561628 3.371624 -1.234800
C 0.595348 3.962165 1.131095
C 0.555426 4.360432 -0.224634
C -5.144111 -0.286991 1.084889
C -3.049310 -3.190770 -1.316946
H 1.115107 -0.709179 -1.095787
H 0.418728 -2.675801 0.296756
H 1.827592 -2.425138 1.363520
H 3.379481 -0.342135 0.956331
H 3.029231 0.754580 -0.392099
H 2.294602 -4.220634 -0.297598
H 1.925967 -3.115844 -1.643509
H 3.524425 -1.041430 -2.061170
H 4.913635 -0.806251 -0.974917
H 4.251196 -2.805736 0.371027
H 4.402713 -3.267784 -1.342455
H -0.899331 -1.381044 1.443337
H -1.396800 0.310553 1.627959
H -1.146418 -1.266491 -1.016632
H -1.602913 0.455654 -0.934951
H 0.987316 -0.845619 2.613105
H 0.617745 1.256857 -1.694086
H 0.685041 2.278157 2.518881
H -3.340014 0.883692 0.845354
H -4.292344 0.743496 -0.650695
H -4.689495 -1.793173 -1.162069
H -3.402593 -1.247593 -2.265940
H 0.536960 3.664822 -2.290713
H 0.598309 4.718760 1.924380
H 0.524928 5.423210 -0.490572
H -5.767883 0.579684 1.374073
H -4.795488 -0.795470 2.000501
H -5.788868 -0.992585 0.529839
H -3.494193 -3.752312 -2.159916
H -3.295294 -3.710119 -0.374375
H -1.950934 -3.216855 -1.441903


