%chk=000272036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272036

0 1
S -4.184221 -1.119224 -0.521512
O 2.335561 0.966337 1.008703
O 3.374900 2.561438 -1.483767
O 3.558484 -0.926801 -1.513242
O 4.220582 -2.165429 0.800205
N 0.516021 0.645525 -0.461369
N -1.210009 2.224875 0.405302
N -3.475461 1.317915 0.351764
N -1.665687 -3.422737 -1.786151
C 1.728408 1.448572 -0.196120
C 2.768384 1.279991 -1.338993
C 3.810763 0.272775 -0.782640
C 3.503873 0.148398 0.732174
C 3.174082 -1.273599 1.209757
C -0.794061 1.025124 -0.115702
C 0.466234 -0.676063 -0.966670
C -1.676508 -0.069366 -0.435439
C -0.849315 -1.123365 -0.968940
C -3.044484 0.148887 -0.168083
C -2.545370 2.305976 0.615476
C -1.301915 -2.387798 -1.418233
C -5.785742 -0.449247 -0.046704
H 1.449665 2.513084 0.030256
H 2.335472 0.930917 -2.301387
H 4.853701 0.601197 -0.973578
H 4.300697 0.618672 1.349983
H 2.272341 -1.683760 0.711101
H 3.027263 -1.313028 2.302575
H 1.368534 -1.185833 -1.299512
H 3.640298 2.712119 -2.418238
H 4.058314 -1.694752 -1.108936
H 5.006425 -2.070222 1.377099
H -2.938971 3.245890 1.036667
H -5.818794 -0.183235 1.019248
H -6.545282 -1.216178 -0.246506
H -6.035480 0.457447 -0.615387


%chk=000272036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272036

0 1
S -4.486804 -1.080016 -0.676698
O 2.247907 0.669943 1.084899
O 3.202343 2.605342 -1.211869
O 3.378748 -1.078042 -1.412201
O 4.882653 -1.942885 0.691408
N 0.383669 0.448203 -0.438295
N -1.246606 2.089460 0.386903
N -3.567012 1.333951 0.262496
N -1.817360 -3.576543 -1.951551
C 1.586766 1.223616 -0.112625
C 2.654038 1.245886 -1.235626
C 3.722694 0.208987 -0.805927
C 3.617921 0.202196 0.745505
C 3.785113 -1.203544 1.360285
C -0.916938 0.881484 -0.141314
C 0.314067 -0.841133 -0.969384
C -1.829880 -0.160532 -0.505067
C -1.027361 -1.252140 -1.032090
C -3.205247 0.133526 -0.270747
C -2.586738 2.245007 0.561966
C -1.464891 -2.512866 -1.530795
C -6.025506 -0.134276 -0.148332
H 1.242656 2.244707 0.121766
H 2.233946 0.982402 -2.224055
H 4.731467 0.528962 -1.133852
H 4.336514 0.930397 1.170752
H 2.875845 -1.790482 1.163259
H 3.947453 -1.151256 2.451413
H 1.222725 -1.363319 -1.271615
H 3.787018 2.740756 -1.999122
H 4.021476 -1.747186 -1.037749
H 5.758968 -1.693964 1.073398
H -2.922537 3.195397 0.985224
H -5.963958 0.103590 0.922156
H -6.865660 -0.814093 -0.358196
H -6.108783 0.792968 -0.731119


