%chk=000241405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241405

0 1
S -2.693387 1.188911 0.067740
N 2.196515 0.529653 -0.652643
N 0.453343 1.999243 -0.318834
N 0.909358 -1.613555 -0.550404
N -1.516491 -1.201320 -0.190426
N -0.624464 -3.395314 -0.295433
C 4.339585 -0.069363 0.555783
C 3.577299 0.039876 -0.791332
C 1.052307 -0.251029 -0.498633
C 3.612667 -0.994718 1.531705
C 4.587584 1.306768 1.177649
C -0.039290 0.685584 -0.301932
C 1.771322 1.893978 -0.514271
C -1.327957 0.129830 -0.153736
C -4.116808 0.061196 0.226563
C -0.391555 -2.026816 -0.367122
C -5.331545 0.949468 0.463676
C -6.598581 0.107228 0.611956
H 5.334069 -0.527306 0.310442
H 4.124941 0.715580 -1.485923
H 3.540903 -0.968214 -1.274466
H 3.329560 -1.944097 1.057839
H 2.682658 -0.546813 1.904828
H 4.233814 -1.226332 2.402671
H 3.651853 1.787129 1.489950
H 5.099179 1.984185 0.487428
H 5.211053 1.223095 2.076303
H 2.473357 2.712436 -0.585305
H -3.950161 -0.649340 1.059140
H -4.220528 -0.553178 -0.687892
H -5.192214 1.568144 1.375377
H -5.462360 1.666684 -0.373963
H -6.526894 -0.587179 1.457317
H -7.474914 0.743124 0.784002
H -6.797224 -0.488171 -0.286799
H 0.097158 -4.020789 -0.623147
H -1.576652 -3.721880 -0.373707


%chk=000241405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241405

0 1
S -2.739151 1.377337 0.107653
N 2.194244 0.545232 -0.564837
N 0.500927 2.083868 -0.288928
N 0.862727 -1.538992 -0.501409
N -1.540275 -1.086952 -0.175863
N -0.723807 -3.268305 -0.403974
C 4.396365 -0.126639 0.531941
C 3.542940 -0.018222 -0.764174
C 1.012549 -0.190122 -0.446549
C 3.703092 -1.000975 1.601610
C 4.781388 1.258738 1.100827
C -0.027020 0.778229 -0.272677
C 1.819464 1.901952 -0.466701
C -1.339229 0.254209 -0.131150
C -4.167661 0.130074 0.218855
C -0.448319 -1.918168 -0.361344
C -5.477457 0.899514 0.457514
C -6.683770 -0.064281 0.536616
H 5.329929 -0.638656 0.214450
H 4.070828 0.605047 -1.510594
H 3.396952 -1.025136 -1.194809
H 3.411388 -1.984785 1.192724
H 2.784847 -0.510808 1.973931
H 4.373902 -1.163280 2.464931
H 3.887669 1.804244 1.455990
H 5.291979 1.884553 0.344044
H 5.464014 1.146912 1.962674
H 2.550724 2.703485 -0.545651
H -3.935343 -0.565688 1.041139
H -4.183395 -0.438869 -0.724870
H -5.403225 1.481834 1.396207
H -5.638207 1.629110 -0.359772
H -6.562595 -0.789644 1.362771
H -7.621452 0.493752 0.710760
H -6.799160 -0.636472 -0.402757
H 0.037374 -3.927041 -0.538764
H -1.685735 -3.578358 -0.305415


