%chk=000210316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210316

0 1
S -3.625158 1.139272 0.408918
S -4.312025 -0.787642 0.202502
O -3.260392 -1.518824 1.288438
O -5.604619 -0.905442 0.789683
O -3.977134 -1.284829 -1.086984
N 0.349946 0.564383 -0.234861
C 2.828305 0.045101 -0.085099
C 1.501511 0.319701 0.687576
C 3.923627 -0.202740 0.987874
C 2.681516 -1.195313 -1.009178
C 3.185219 1.258211 -0.984857
C 5.315458 -0.462486 0.418128
C 2.256871 -2.476301 -0.297439
C 3.425827 2.561472 -0.227234
C -0.956987 0.505608 0.493520
C -2.015716 1.083311 -0.443553
H 1.311923 -0.515010 1.396511
H 1.624897 1.239592 1.303247
H 3.968864 0.670036 1.669207
H 3.625493 -1.063024 1.619644
H 3.648096 -1.370444 -1.523942
H 1.958180 -0.968618 -1.818029
H 2.362395 1.418509 -1.712104
H 4.081943 1.014122 -1.586487
H 0.353459 -0.140609 -0.984202
H 5.327690 -1.341584 -0.236975
H 5.678718 0.390014 -0.168030
H 6.039909 -0.640906 1.220651
H 2.958637 -2.745997 0.501220
H 2.222234 -3.319041 -0.998062
H 1.262480 -2.388300 0.153366
H 4.253915 2.476135 0.484459
H 2.531821 2.867475 0.330852
H 3.668775 3.374901 -0.920179
H -1.232391 -0.524026 0.824506
H -0.882551 1.121743 1.418839
H -2.090269 0.517408 -1.395424
H -1.765102 2.129841 -0.727413
H -3.646763 -2.133698 1.934210


%chk=000210316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210316

0 1
S -3.454997 1.536165 0.486389
S -4.727604 -0.569847 0.084299
O -4.704764 -1.192539 1.841050
O -6.280329 -0.423653 -0.348331
O -3.759820 -1.531382 -0.801026
N 0.402711 0.136371 0.020274
C 2.938913 -0.005689 -0.085789
C 1.652285 0.061348 0.796584
C 4.139329 -0.171806 0.900093
C 2.857164 -1.208945 -1.084911
C 3.064454 1.295060 -0.945890
C 5.540609 -0.237158 0.254948
C 2.641606 -2.609493 -0.468067
C 3.291768 2.615840 -0.178491
C -0.828839 0.510493 0.723068
C -1.891100 0.911769 -0.319930
H 1.649311 -0.812099 1.493185
H 1.699165 0.962639 1.437941
H 4.117428 0.669663 1.621815
H 3.980275 -1.087813 1.504446
H 3.789609 -1.222832 -1.682568
H 2.052315 -1.003360 -1.821667
H 2.135250 1.386407 -1.542447
H 3.890205 1.157055 -1.672651
H 0.276975 -0.634363 -0.646960
H 5.647492 -1.111146 -0.412753
H 5.762271 0.668921 -0.337383
H 6.318896 -0.322323 1.035496
H 3.470871 -2.893007 0.204841
H 2.586172 -3.374924 -1.263699
H 1.703224 -2.673722 0.114214
H 4.243990 2.613665 0.382621
H 2.476036 2.824478 0.538087
H 3.328064 3.464986 -0.885597
H -1.246561 -0.293748 1.372122
H -0.602801 1.370456 1.382017
H -2.179617 0.032234 -0.935190
H -1.524632 1.701565 -1.001338
H -5.476721 -1.827263 1.934498


