%chk=000118209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118209

0 1
N -1.993462 0.027472 -0.302175
C -0.522004 0.208611 -0.500979
C -0.271636 1.639669 -1.026816
C -0.867293 2.713571 -0.109447
C -2.583176 1.016055 0.656489
C -2.357616 2.441765 0.126768
C 0.338902 -0.087565 0.759555
C -2.358512 -1.377104 0.072496
C 1.791987 -0.234066 0.410812
C -3.791095 -1.636102 -0.315606
C 2.260497 -1.423979 -0.170312
C 2.693434 0.812359 0.661350
C 3.612082 -1.562065 -0.494537
C 4.044734 0.668146 0.335687
C -4.556735 -2.538954 0.292772
C 4.507784 -0.517670 -0.242563
H -0.222960 -0.515969 -1.306132
H -0.721492 1.726868 -2.036505
H 0.815066 1.800352 -1.155327
H -0.729670 3.713897 -0.560296
H -0.325296 2.734820 0.855038
H -2.170051 0.918754 1.682905
H -3.674629 0.813733 0.728703
H -2.779068 3.174753 0.837557
H -2.913380 2.570558 -0.823953
H -0.019531 -1.009612 1.257754
H 0.190538 0.717512 1.506590
H -2.187651 -1.600955 1.148721
H -1.712067 -2.083647 -0.500946
H -4.150931 -1.035265 -1.155643
H 1.570259 -2.240679 -0.368689
H 2.340606 1.738857 1.109230
H 3.969325 -2.486770 -0.944846
H 4.739016 1.483177 0.533436
H -5.575598 -2.741967 -0.002728
H -4.234683 -3.145810 1.125057
H 5.559610 -0.627848 -0.495119


%chk=000118209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118209

0 1
N -1.977900 -0.029772 -0.259015
C -0.521286 0.166578 -0.483957
C -0.277162 1.598267 -1.023660
C -0.895260 2.682777 -0.110177
C -2.607407 0.962175 0.643987
C -2.397109 2.396388 0.116665
C 0.373847 -0.164047 0.776745
C -2.385800 -1.427321 0.007973
C 1.850830 -0.255191 0.438925
C -3.833255 -1.675893 -0.373790
C 2.368441 -1.405012 -0.216655
C 2.745763 0.806947 0.733227
C 3.733507 -1.490435 -0.569119
C 4.112988 0.726295 0.384246
C -4.750716 -2.287043 0.416314
C 4.612782 -0.422991 -0.270883
H -0.223053 -0.551230 -1.276012
H -0.743954 1.667175 -2.025291
H 0.808368 1.763181 -1.151812
H -0.756161 3.682034 -0.564829
H -0.371604 2.706476 0.867504
H -2.210304 0.888275 1.689635
H -3.687329 0.732715 0.699338
H -2.832090 3.120532 0.832645
H -2.939911 2.503706 -0.842497
H 0.028839 -1.133441 1.186592
H 0.207841 0.596830 1.561100
H -2.230662 -1.740331 1.071085
H -1.738116 -2.079936 -0.614413
H -4.110404 -1.323767 -1.378244
H 1.696153 -2.243465 -0.441078
H 2.367553 1.700666 1.245846
H 4.113376 -2.388304 -1.070334
H 4.787722 1.555896 0.625309
H -5.776736 -2.465371 0.075425
H -4.499296 -2.630035 1.428322
H 5.672807 -0.488425 -0.540814


