%chk=000276450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276450

0 1
S -0.041149 -1.998190 0.152277
O -0.387873 -3.052384 -0.777083
O -0.413292 -2.150131 1.549501
O -4.729067 -1.969911 -0.938482
O 0.552976 3.903872 -1.131301
O -5.607862 -0.870226 0.794308
N -0.862583 -0.583708 -0.437626
C -2.295387 -0.768776 -0.827056
C -3.195430 -0.779952 0.437238
C -0.491873 0.692720 0.130693
C -2.750737 0.304457 -1.813412
C 1.619776 -1.590836 0.022104
C -0.145388 1.733832 -0.733599
C -0.440443 0.873472 1.530209
C 2.327719 -1.147470 1.146566
C 2.276810 -1.718614 -1.208203
C -4.612086 -1.161898 0.173467
C 0.243967 2.966611 -0.172641
C -0.047357 2.103999 2.050200
C 3.680450 -0.827971 1.043716
C 3.629531 -1.399703 -1.318184
C 4.341268 -0.948979 -0.192105
C 0.299310 3.170036 1.211618
C 5.791690 -0.620378 -0.303684
C 0.953381 5.223101 -0.687061
H -2.364958 -1.779255 -1.332230
H -2.776542 -1.482001 1.204363
H -3.174776 0.214788 0.938903
H -2.074395 0.358138 -2.676639
H -2.788168 1.305203 -1.367339
H -3.752255 0.070197 -2.198348
H -0.164704 1.609448 -1.814384
H -0.713686 0.055133 2.202152
H 1.817219 -1.055250 2.113106
H 1.729899 -2.077129 -2.087884
H -0.012476 2.244266 3.132059
H 4.224788 -0.485434 1.921722
H 4.134190 -1.501889 -2.277198
H 0.597916 4.120387 1.637121
H 6.110127 0.140337 0.422765
H 6.407522 -1.515800 -0.120954
H 6.063094 -0.244069 -1.300220
H -5.665179 -2.262741 -1.099575
H 1.876491 5.163851 -0.103855
H 0.143542 5.697035 -0.124954
H 1.122900 5.738312 -1.641869


%chk=000276450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276450

0 1
S -0.055032 -1.981931 0.323769
O -0.478423 -3.229223 -0.632650
O -0.300861 -2.084852 1.941367
O -4.744486 -2.423855 -0.599199
O 0.849068 3.977626 -0.974943
O -5.764316 -0.524016 0.258767
N -0.912797 -0.462040 -0.488066
C -2.334188 -0.800513 -0.828617
C -3.304284 -0.765853 0.397584
C -0.595419 0.785361 0.178396
C -2.788484 0.146406 -1.959617
C 1.751668 -1.553700 0.041246
C -0.017821 1.790604 -0.628707
C -0.819430 1.025904 1.565409
C 2.494567 -1.067570 1.127168
C 2.295175 -1.778276 -1.233779
C -4.717160 -1.172136 0.038913
C 0.303875 3.052264 -0.072800
C -0.469524 2.277944 2.108193
C 3.860300 -0.779404 0.909979
C 3.662496 -1.483616 -1.423077
C 4.461522 -0.981138 -0.360234
C 0.081809 3.303208 1.304354
C 5.937419 -0.698591 -0.572440
C 1.204466 5.301143 -0.456112
H -2.303427 -1.836220 -1.215587
H -2.927682 -1.467552 1.167285
H -3.352884 0.245081 0.833380
H -2.091498 0.081543 -2.811650
H -2.831052 1.194754 -1.615209
H -3.794938 -0.146376 -2.308325
H 0.184098 1.596155 -1.685176
H -1.224133 0.235789 2.202620
H 2.021693 -0.935010 2.105468
H 1.675830 -2.181058 -2.041119
H -0.632473 2.466220 3.175118
H 4.465146 -0.395356 1.739278
H 4.114998 -1.647081 -2.407918
H 0.332777 4.268777 1.753050
H 6.309647 0.066769 0.130070
H 6.539106 -1.614116 -0.411766
H 6.140523 -0.350200 -1.600097
H -5.688681 -2.669071 -0.798530
H 1.982838 5.231299 0.328600
H 0.316989 5.827264 -0.053814
H 1.599884 5.851142 -1.322382


