%chk=000182529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182529

0 1
O -3.828095 -1.375286 1.802430
N -2.524283 0.142294 0.623780
N -1.720250 -2.043024 1.397117
N 0.044261 -0.996118 0.165669
N 2.206529 -2.074605 -0.037133
N 2.739946 2.271438 -2.626085
C -3.585230 1.213886 0.491170
C -4.007406 1.673933 1.892489
C -4.781324 0.639194 -0.278566
C -2.938074 2.369183 -0.289754
C -2.774609 -1.040449 1.275639
C -0.413749 -2.057131 0.913981
C 1.337818 -1.048178 -0.283813
C 0.435714 -3.165227 1.197460
C 1.821102 0.100672 -1.096566
C 1.736081 -3.122953 0.700719
C 3.145420 0.543237 -0.971749
C 0.960303 0.747244 -1.995608
C 3.562128 1.632879 -1.754418
C 1.461778 1.826698 -2.740615
H -3.161855 2.055359 2.474032
H -4.761656 2.465175 1.842667
H -4.447437 0.841954 2.466176
H -5.232993 -0.205983 0.266455
H -4.496546 0.268712 -1.268426
H -5.565513 1.389935 -0.415805
H -2.619425 2.065441 -1.293154
H -3.652145 3.192157 -0.417499
H -2.065702 2.784155 0.229167
H -1.597817 0.334436 0.216223
H -2.030175 -2.871440 1.931332
H 0.086693 -4.011429 1.780186
H 2.449484 -3.938587 0.881334
H 3.838500 0.043508 -0.293196
H -0.071730 0.419210 -2.113379
H 4.588264 2.015501 -1.691471
H 0.829094 2.362608 -3.458192


%chk=000182529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182529

0 1
O -3.929937 -1.445724 1.889268
N -2.554993 0.004885 0.627200
N -1.732568 -2.057244 1.482199
N 0.000110 -0.951263 0.273548
N 2.206821 -1.953580 0.064025
N 2.718775 2.407385 -2.536980
C -3.556878 1.086241 0.368619
C -4.043241 1.690626 1.712350
C -4.756550 0.515639 -0.433152
C -2.829500 2.167353 -0.465700
C -2.831482 -1.125351 1.341789
C -0.427625 -2.023559 1.015130
C 1.299122 -0.957868 -0.172011
C 0.460032 -3.106104 1.309562
C 1.769431 0.202203 -0.979819
C 1.763901 -3.015544 0.807149
C 3.102474 0.236420 -1.465882
C 0.924538 1.296859 -1.291478
C 3.525047 1.344895 -2.229209
C 1.437104 2.361968 -2.062774
H -3.193197 2.106150 2.283459
H -4.764673 2.505125 1.518532
H -4.537415 0.918248 2.324099
H -5.257176 -0.282120 0.139663
H -4.417087 0.100128 -1.399369
H -5.489351 1.317687 -0.636450
H -2.477625 1.757235 -1.431317
H -3.523392 2.996858 -0.684161
H -1.966344 2.584632 0.086735
H -1.586359 0.073583 0.259083
H -2.016335 -2.873299 2.030812
H 0.136351 -3.967391 1.900759
H 2.494432 -3.809426 0.994243
H 3.775763 -0.594269 -1.240792
H -0.108672 1.318455 -0.941384
H 4.548328 1.398319 -2.616949
H 0.805272 3.220247 -2.318200


