%chk=000269351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269351

0 1
S 5.228582 2.506342 -0.318503
S 3.595521 3.397576 0.526616
O 0.287039 -2.430169 -1.895440
O -4.301204 2.738060 1.139401
O -1.824161 -3.685520 2.022177
O -3.794533 -1.164345 -1.283594
N 2.802363 -1.921404 -0.171957
N -1.785556 3.771576 -0.330413
N 0.368908 -3.020684 2.212350
N -2.246242 0.488503 -1.685390
N 2.752134 -2.234084 2.097845
N -0.711409 2.469609 -1.881233
N -0.768224 -3.077807 0.049300
N -4.051132 0.786025 -0.063630
C 4.927090 -1.379942 1.115355
C 0.267958 4.769785 -1.438106
C 3.515330 -1.840726 1.024265
C -0.723847 3.680135 -1.229302
C 1.511238 -2.376507 0.153171
C -2.489471 2.556365 -0.407960
C 1.509652 -2.565601 1.561644
C -1.804807 1.769622 -1.373794
C 5.042037 0.153948 1.087556
C 1.445472 4.669851 -0.451378
C 0.366795 -2.606985 -0.693653
C -3.663104 2.120748 0.311565
C 4.905842 0.723754 -0.316241
C 2.355544 3.497773 -0.797239
C -0.820608 -3.293273 1.459824
C -3.399971 -0.041203 -1.025275
C 0.372410 -3.216624 3.682359
C -1.553774 -0.332068 -2.708036
C -2.018564 -3.372062 -0.704955
C -5.225980 0.178277 0.621596
H 5.359208 -1.756550 2.075963
H 5.547670 -1.840238 0.318757
H -0.215120 5.766050 -1.352003
H 0.646554 4.718372 -2.487886
H 6.020360 0.443844 1.528180
H 4.276295 0.593486 1.765552
H 1.058493 4.578194 0.585391
H 2.016970 5.622682 -0.477843
H 3.100380 -1.706099 -1.107104
H -2.038445 4.527011 0.283221
H 5.654479 0.285085 -1.009112
H 3.910178 0.515155 -0.748916
H 1.786669 2.546497 -0.856648
H 2.833952 3.636731 -1.785575
H 0.618439 -2.268684 4.193640
H -0.623189 -3.561037 4.023024
H 1.128325 -3.970856 3.964979
H -0.461277 -0.161793 -2.670144
H -1.726678 -1.417349 -2.511672
H -1.919782 -0.087535 -3.718194
H -2.076181 -2.727161 -1.611726
H -2.046902 -4.428736 -1.012572
H -2.912599 -3.153238 -0.089107
H -5.869107 -0.346096 -0.107287
H -4.893297 -0.551327 1.380255
H -5.817426 0.966848 1.123807


%chk=000269351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269351

0 1
S 5.285116 2.302846 -0.842344
S 3.785500 3.551423 0.309495
O 0.231903 -2.809656 -1.776570
O -4.117973 2.675892 1.233422
O -1.947442 -3.964017 2.255974
O -3.561031 -1.111679 -1.538516
N 2.640250 -2.044602 0.035208
N -1.733550 3.866613 -0.347345
N 0.220502 -3.089509 2.408740
N -2.110509 0.688025 -1.880447
N 2.537950 -2.195608 2.300487
N -0.692263 2.730875 -2.017032
N -0.832486 -3.422236 0.251384
N -3.822120 0.773158 -0.166136
C 4.732540 -1.358313 1.342526
C 0.234102 5.036332 -1.455623
C 3.318421 -1.850855 1.234707
C -0.723094 3.892137 -1.300117
C 1.367849 -2.538151 0.339906
C -2.385959 2.634524 -0.451012
C 1.338752 -2.621036 1.737895
C -1.723303 1.960188 -1.487546
C 4.947731 0.157536 1.043786
C 1.496858 4.909586 -0.544364
C 0.268322 -2.908309 -0.507174
C -3.493050 2.096697 0.291782
C 4.709924 0.539490 -0.424880
C 2.422554 3.768303 -1.005394
C -0.916945 -3.519598 1.675696
C -3.182604 0.052339 -1.216739
C 0.207943 -3.160595 3.883138
C -1.436232 -0.032357 -2.985538
C -2.007645 -3.891933 -0.529615
C -4.931597 0.062099 0.511054
H 5.049915 -1.557155 2.380141
H 5.391727 -1.955122 0.680185
H -0.280177 5.987567 -1.220783
H 0.547311 5.083948 -2.513155
H 5.991110 0.408212 1.312154
H 4.289447 0.764064 1.692728
H 1.174296 4.742971 0.502579
H 2.051029 5.866261 -0.565553
H 2.988346 -1.885546 -0.909867
H -1.984207 4.599242 0.316848
H 5.319582 -0.081481 -1.111647
H 3.649442 0.464036 -0.717746
H 1.876269 2.818459 -1.111632
H 2.920822 4.012403 -1.957265
H 0.366211 -2.156659 4.311179
H -0.771516 -3.555394 4.188703
H 1.013764 -3.825682 4.236319
H -0.687552 0.649314 -3.415716
H -0.949195 -0.950172 -2.614877
H -2.179104 -0.315491 -3.749278
H -2.564346 -3.035527 -0.946074
H -1.650319 -4.520810 -1.360654
H -2.656053 -4.464432 0.147893
H -5.710116 -0.207328 -0.220813
H -4.559304 -0.864650 0.978178
H -5.336496 0.741565 1.275254


