%chk=000274501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274501

0 1
S 3.321123 0.787095 -1.124917
O -0.877824 -0.273870 0.280121
O 0.220587 -1.565070 -1.265634
N 1.156507 -1.073813 0.829483
C -2.761369 1.097902 -0.285542
C -4.260564 -0.388303 0.567483
C -3.485610 0.865305 1.070660
C -2.103493 -0.291682 -0.531015
C -3.096098 -1.302315 0.091688
C -3.957950 1.189036 -1.273395
C -4.980902 0.172858 -0.692769
C 0.190089 -1.013195 -0.185375
C 2.551885 -1.409411 0.441011
C 3.402490 -0.199974 0.310342
C 4.304394 0.324238 1.189327
C 4.937133 1.529694 0.705306
C 4.508355 1.909063 -0.529811
H -2.059128 1.936909 -0.321971
H -4.929540 -0.862244 1.293098
H -4.131945 1.695249 1.375092
H -2.794998 0.655378 1.897788
H -1.831884 -0.500690 -1.580883
H -2.633745 -1.837531 0.937725
H -3.419995 -2.065376 -0.629239
H -3.669667 0.944157 -2.305503
H -4.369714 2.209240 -1.293637
H -5.926412 0.664716 -0.421467
H -5.229271 -0.618926 -1.413073
H 1.060628 -0.417569 1.608414
H 2.539795 -2.007833 -0.508314
H 2.954318 -2.094679 1.229400
H 4.547634 -0.094525 2.156014
H 5.676668 2.055537 1.294451
H 4.813401 2.760728 -1.112958


%chk=000274501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274501

0 1
S 3.701683 1.257687 -0.903802
O -0.990279 0.156276 0.188787
O 0.067061 -1.530664 -1.086419
N 1.189785 -0.330720 0.595262
C -3.168513 1.143543 -0.343226
C -4.372612 -0.554821 0.595797
C -3.813306 0.829926 1.039146
C -2.263488 -0.090553 -0.557888
C -3.079729 -1.261879 0.084151
C -4.386893 0.986029 -1.307742
C -5.234570 -0.162023 -0.642113
C 0.095437 -0.655053 -0.181050
C 2.485643 -1.004286 0.427758
C 3.647901 -0.047763 0.352972
C 4.795449 -0.022163 1.132265
C 5.736196 1.010749 0.763950
C 5.306863 1.786399 -0.299339
H -2.627686 2.097034 -0.442444
H -4.918650 -1.129372 1.361531
H -4.602628 1.549205 1.321384
H -3.069933 0.763274 1.852474
H -1.999129 -0.270848 -1.613602
H -2.504148 -1.692070 0.923405
H -3.285076 -2.072028 -0.636133
H -4.071720 0.739351 -2.338101
H -4.958285 1.930023 -1.356153
H -6.228439 0.206429 -0.329020
H -5.394470 -1.019305 -1.320428
H 1.087111 0.408723 1.291234
H 2.394002 -1.617041 -0.488641
H 2.677034 -1.703294 1.267253
H 4.964187 -0.726253 1.951958
H 6.688477 1.172399 1.274525
H 5.797622 2.633190 -0.775853


