%chk=000233002.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233002

0 1
S 4.121449 0.067123 0.627113
S 3.177663 0.053628 -2.186585
O -2.367302 -0.039046 0.448539
O 0.563243 0.007706 2.099826
N 1.600515 0.026196 0.010019
C 0.315594 0.005735 -0.791760
C -0.483517 1.245339 -0.484091
C -0.442516 -1.259786 -0.485853
C -1.743084 1.162514 0.126613
C -1.704104 -1.219081 0.124941
C 1.580586 0.024895 1.462841
C 0.005492 2.523547 -0.802616
C 0.088051 -2.520857 -0.806167
C 2.838693 0.046801 -0.602504
C 2.978158 0.047360 2.026704
C -2.510491 2.296639 0.443021
C -2.433977 -2.378155 0.439740
C -0.739592 3.662363 -0.501658
C -0.619360 -3.683868 -0.506825
C -1.991544 3.547797 0.124706
C -1.874373 -3.611213 0.119675
H 0.594089 0.011072 -1.889059
H 0.978332 2.619782 -1.288908
H 1.063505 -2.584522 -1.292579
H 3.126490 0.936384 2.676695
H 3.155549 -0.837268 2.675412
H -3.478320 2.177460 0.925642
H -3.405177 -2.291391 0.922505
H -0.350875 4.647543 -0.752212
H -0.198619 -4.655446 -0.758758
H -2.562674 4.446395 0.360795
H -2.415786 -4.528350 0.354489


%chk=000233002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233002

0 1
S 4.208550 0.069206 0.670031
S 3.180935 0.052788 -2.232818
O -2.328917 -0.038588 0.575450
O 0.509690 0.008554 2.132822
N 1.617354 0.027059 0.051486
C 0.321672 0.005699 -0.748347
C -0.494583 1.256706 -0.472288
C -0.452647 -1.271789 -0.473192
C -1.744308 1.182049 0.186740
C -1.704503 -1.238770 0.185186
C 1.571122 0.025794 1.470082
C -0.016677 2.532238 -0.860323
C 0.066807 -2.530493 -0.862777
C 2.868358 0.047819 -0.575377
C 2.967297 0.047103 2.089134
C -2.494715 2.341011 0.479008
C -2.416972 -2.422080 0.474900
C -0.753107 3.700520 -0.580266
C -0.631361 -3.722611 -0.585192
C -1.994498 3.600722 0.097617
C -1.875847 -3.664238 0.091818
H 0.689552 0.012186 -1.792761
H 0.945512 2.600249 -1.382455
H 1.030965 -2.566270 -1.384467
H 3.089449 0.948165 2.710105
H 3.118228 -0.851812 2.706927
H -3.451798 2.232969 0.997419
H -3.377505 -2.346174 0.992628
H -0.369148 4.678934 -0.886196
H -0.215570 -4.687487 -0.892497
H -2.572639 4.503347 0.322552
H -2.424600 -4.585509 0.314753


