%chk=000249214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249214

0 1
O 3.492427 0.732641 0.573213
O -1.271821 1.838398 -0.475202
O 2.422182 -1.256719 0.426680
N -2.553910 0.357180 0.694983
C -4.602809 -0.018089 -0.697186
C -3.832491 0.942056 0.220156
C -5.279943 -1.160926 0.070093
C -0.113328 0.079004 0.721543
C 1.165699 0.850321 0.403118
C -1.330353 0.848323 0.236085
C -6.070603 -2.073511 -0.864355
C 2.366810 -0.049239 0.462645
C 4.795325 0.069463 0.599201
C 5.212486 -0.268304 -0.829707
C 6.660811 -0.739564 -0.878874
H -5.366187 0.558963 -1.257171
H -3.924886 -0.428402 -1.472057
H -4.441937 1.218723 1.109013
H -3.610523 1.892616 -0.327188
H -5.954745 -0.746572 0.845276
H -4.521820 -1.756216 0.614436
H -0.082102 -0.922889 0.232064
H -0.174604 -0.126825 1.809751
H -2.622438 -0.521464 1.194403
H 1.096760 1.315060 -0.613558
H 1.289916 1.722801 1.082207
H -6.862139 -1.527129 -1.390395
H -6.549527 -2.889291 -0.310818
H -5.427281 -2.528749 -1.626429
H 5.422202 0.850675 1.064623
H 4.731982 -0.821598 1.247063
H 4.538513 -1.051251 -1.237369
H 5.070532 0.618679 -1.479671
H 6.955703 -0.991847 -1.905138
H 6.816998 -1.637402 -0.268500
H 7.354503 0.030684 -0.522134


%chk=000249214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249214

0 1
O 3.479955 0.724698 0.632835
O -1.333586 1.549768 -0.959027
O 2.368079 -1.296370 0.274315
N -2.610522 0.502669 0.681048
C -4.714430 0.064379 -0.651830
C -3.896708 1.052335 0.213571
C -5.169843 -1.206727 0.100599
C -0.190527 0.036318 0.613542
C 1.103526 0.829210 0.360285
C -1.411699 0.771163 0.042050
C -6.023620 -2.144262 -0.780610
C 2.338184 -0.049911 0.415379
C 4.790252 0.004479 0.624026
C 5.334861 -0.131681 -0.804744
C 6.735887 -0.783136 -0.807159
H -5.607222 0.601718 -1.032516
H -4.111701 -0.217259 -1.537076
H -4.489509 1.363785 1.095997
H -3.653651 1.952830 -0.376771
H -5.750587 -0.912732 0.999829
H -4.280317 -1.761187 0.463540
H -0.102215 -0.944701 0.106254
H -0.321747 -0.176459 1.691369
H -2.609301 -0.143655 1.471551
H 1.034577 1.280690 -0.650439
H 1.222203 1.673273 1.060723
H -6.937258 -1.630897 -1.134846
H -6.336312 -3.048080 -0.226369
H -5.456710 -2.472190 -1.671880
H 5.442004 0.636707 1.249869
H 4.653528 -0.987357 1.092116
H 4.633399 -0.743723 -1.400883
H 5.379973 0.870354 -1.271282
H 7.119437 -0.881032 -1.838079
H 6.707874 -1.794946 -0.361419
H 7.463127 -0.178468 -0.233168


