%chk=000191112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191112

0 1
S 0.246720 -0.331685 1.198178
O 2.484971 1.378702 -2.224810
O 1.986971 -2.294260 1.445273
O -1.780334 3.073503 -1.804698
O -2.819665 -0.345663 -2.036877
N 2.276538 1.047342 0.158678
N -0.646429 1.135388 -1.349279
C 0.895023 1.290309 0.702239
C 0.450040 1.818421 -0.696599
C 1.874309 1.385006 -1.206136
C 2.856392 -0.221990 0.500013
C 1.884187 -1.164202 1.081646
C 4.183281 -0.464751 0.306021
C -1.733747 1.857725 -1.846409
C 5.063567 0.562501 -0.313022
C 4.822173 -1.755041 0.671625
C -2.837710 1.018738 -2.488412
C -3.366565 -0.636856 -0.789980
C -3.848039 0.305642 0.121028
C -3.368970 -2.018684 -0.523538
C -4.349521 -0.160555 1.343367
C -3.871477 -2.450037 0.701148
C -4.363234 -1.525509 1.635229
H 0.860016 2.019302 1.532690
H 0.302142 2.931142 -0.726826
H -0.662344 0.109790 -1.331513
H 6.119501 0.271598 -0.358516
H 4.738246 0.793211 -1.346925
H 5.003881 1.523001 0.229163
H 5.316015 -2.220346 -0.196342
H 5.598666 -1.610426 1.440112
H 4.120706 -2.508768 1.074405
H -3.828689 1.485629 -2.332203
H -2.656266 0.903429 -3.579495
H -3.837808 1.370342 -0.090374
H -2.983792 -2.715201 -1.264232
H -4.729642 0.556395 2.071696
H -3.881599 -3.514938 0.935706
H -4.751816 -1.875801 2.588768


%chk=000191112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191112

0 1
S 0.389491 -0.653111 1.228251
O 2.419419 1.027891 -2.374498
O 2.500544 -2.405483 1.659743
O -1.722161 3.143940 -1.704618
O -2.959453 -0.295964 -2.040037
N 2.323126 0.825070 0.057588
N -0.704495 1.072603 -1.311890
C 0.985379 1.058917 0.672120
C 0.478988 1.623953 -0.707720
C 1.874151 1.146036 -1.268662
C 3.092798 -0.284085 0.523815
C 2.207182 -1.293856 1.186601
C 4.450422 -0.396268 0.314654
C -1.732366 1.880251 -1.768341
C 5.201452 0.725244 -0.370293
C 5.264053 -1.606997 0.703402
C -2.893379 1.116474 -2.428115
C -3.582859 -0.614712 -0.803424
C -4.004302 0.344594 0.147289
C -3.755634 -1.998222 -0.566234
C -4.611067 -0.102006 1.345521
C -4.357144 -2.424877 0.634697
C -4.790671 -1.479626 1.596444
H 0.970665 1.738592 1.534978
H 0.370091 2.723899 -0.705740
H -0.819700 0.056171 -1.385953
H 6.232457 0.796349 0.019885
H 5.271212 0.530479 -1.458433
H 4.691204 1.695416 -0.249838
H 5.855404 -1.951781 -0.166985
H 5.998313 -1.323575 1.483648
H 4.655684 -2.438676 1.083202
H -3.837160 1.651406 -2.221040
H -2.727773 1.102410 -3.519257
H -3.863195 1.417474 -0.016559
H -3.419263 -2.711938 -1.324486
H -4.937898 0.637792 2.084632
H -4.489365 -3.496633 0.818626
H -5.258451 -1.814747 2.527825


