%chk=000268582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268582

0 1
S 0.226382 0.045741 -2.434441
P 0.056751 0.023950 -0.505864
N 0.930139 1.328820 0.274145
N 0.663152 -1.452683 0.219189
N -1.603251 0.172496 0.038397
C 0.728121 2.792339 -0.009614
C 2.060614 -1.984394 0.053498
C -2.725189 -0.750213 -0.352780
C 0.354998 2.195094 1.349305
C 1.562537 -1.490061 1.413717
C -2.219301 -0.693803 1.090642
C 2.021589 3.559423 -0.158596
C -0.374658 3.278379 -0.916083
C 2.109124 -3.467971 -0.229972
C 3.129330 -1.194215 -0.658886
C -3.996684 -0.024555 -0.727489
C -2.478009 -1.999691 -1.160071
H 1.004310 2.333333 2.218047
H -0.693999 2.129416 1.650400
H 1.259435 -2.198526 2.189357
H 1.982085 -0.581800 1.854630
H -2.777442 -0.150355 1.857842
H -1.692657 -1.549656 1.521337
H 2.836743 3.112296 0.426946
H 2.353288 3.561653 -1.206749
H 1.904778 4.599528 0.165335
H -0.160398 3.038169 -1.971367
H -1.356057 2.835113 -0.689417
H -0.493229 4.366075 -0.847422
H 3.025022 -3.917669 0.169166
H 1.252839 -4.000140 0.206872
H 2.077122 -3.657878 -1.312351
H 4.118710 -1.642246 -0.509815
H 2.944935 -1.161271 -1.746163
H 3.198426 -0.148366 -0.323589
H -4.013590 0.198917 -1.803782
H -4.880884 -0.626080 -0.489216
H -4.091879 0.937964 -0.206193
H -1.648124 -2.612446 -0.776881
H -3.366210 -2.642059 -1.177483
H -2.228568 -1.756927 -2.207000


%chk=000268582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268582

0 1
S 0.245754 0.060057 -2.632373
P 0.063524 0.029490 -0.560569
N 0.950406 1.341047 0.272846
N 0.662455 -1.467352 0.219345
N -1.619664 0.186809 0.029881
C 0.742574 2.831141 0.010509
C 2.077921 -2.019915 0.066857
C -2.760400 -0.754241 -0.349801
C 0.314367 2.218256 1.338579
C 1.617648 -1.448353 1.402302
C -2.215916 -0.743309 1.073534
C 2.052201 3.605169 -0.068800
C -0.347773 3.297097 -0.950483
C 2.103626 -3.530804 -0.127227
C 3.122860 -1.244353 -0.730169
C -4.057609 -0.016988 -0.657229
C -2.484314 -1.977860 -1.219370
H 0.925695 2.356714 2.237981
H -0.764131 2.099173 1.501682
H 1.335229 -2.115582 2.225019
H 2.030253 -0.473420 1.690153
H -2.765419 -0.234437 1.874206
H -1.607339 -1.604416 1.376606
H 2.800097 3.188890 0.627229
H 2.466547 3.552128 -1.091743
H 1.886444 4.669562 0.182664
H -0.018479 3.194714 -1.998930
H -1.274156 2.710881 -0.825989
H -0.573916 4.362583 -0.756500
H 3.073905 -3.945062 0.205449
H 1.296222 -4.016357 0.446762
H 1.967985 -3.782990 -1.194357
H 4.131225 -1.619850 -0.472948
H 2.965590 -1.375592 -1.814765
H 3.082424 -0.164046 -0.510216
H -4.073039 0.309167 -1.712720
H -4.926629 -0.679971 -0.487301
H -4.163368 0.876471 -0.018786
H -1.553982 -2.488084 -0.917001
H -3.325206 -2.690757 -1.126511
H -2.383317 -1.689910 -2.280214


