%chk=000221386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221386

0 1
S 4.868944 -1.688091 -0.508593
O 2.192510 2.159801 0.399333
N 2.592540 -0.037903 0.803068
C -1.950203 1.526085 -0.677525
C -0.584774 1.749729 0.028077
C 0.438068 0.651812 -0.279770
C -2.504177 0.142223 -0.332062
C -1.768045 1.729032 -2.192797
C -2.953867 2.578666 -0.161299
C 1.790486 1.010278 0.299025
C 3.995954 0.280337 1.184396
C 2.341340 -1.465870 0.492788
C 4.964178 0.042675 0.029873
C 3.085328 -1.915238 -0.761746
C -2.961875 -0.749240 -1.311525
C -2.578198 -0.248049 1.018341
C -3.472274 -2.002427 -0.953591
C -3.087283 -1.497191 1.375103
C -3.535389 -2.382295 0.388284
H -0.729399 1.823173 1.123667
H -0.167474 2.735559 -0.270566
H 0.549766 0.529368 -1.378671
H 0.066211 -0.326458 0.096187
H -2.722442 1.672712 -2.727411
H -1.092681 0.984119 -2.626045
H -1.339847 2.715638 -2.407077
H -3.938834 2.442846 -0.622217
H -2.620632 3.596284 -0.390815
H -3.094566 2.516298 0.922727
H 4.267235 -0.334908 2.071727
H 4.040190 1.352875 1.505184
H 1.243105 -1.636637 0.379646
H 2.657084 -2.074312 1.374749
H 4.754290 0.722719 -0.818255
H 6.011516 0.230025 0.336801
H 2.921841 -2.990909 -0.966999
H 2.752921 -1.362499 -1.659046
H -2.934259 -0.479112 -2.365630
H -2.236932 0.431757 1.798427
H -3.824518 -2.681499 -1.728275
H -3.139042 -1.782419 2.424498
H -3.933496 -3.355356 0.665814


%chk=000221386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221386

0 1
S 5.482378 -1.250043 -0.697490
O 1.777095 1.699104 1.430900
N 2.676541 -0.260735 0.565807
C -1.968963 1.418644 -0.765560
C -0.596820 1.641570 -0.044965
C 0.407606 0.484719 -0.209363
C -2.672386 0.155533 -0.210718
C -1.749321 1.347696 -2.299434
C -2.868105 2.658681 -0.470145
C 1.661856 0.697106 0.654495
C 3.904615 -0.082432 1.373448
C 2.664444 -1.439061 -0.322803
C 5.136113 0.188814 0.493439
C 3.737322 -1.339583 -1.428350
C -3.141053 -0.893369 -1.044076
C -2.888319 0.026445 1.190291
C -3.799024 -2.024160 -0.504231
C -3.541627 -1.099120 1.734886
C -4.002915 -2.134644 0.888297
H -0.758233 1.814168 1.033770
H -0.146336 2.576545 -0.429410
H 0.704802 0.381579 -1.271301
H -0.079259 -0.469739 0.076589
H -2.711816 1.317940 -2.842659
H -1.161235 0.463022 -2.604634
H -1.204728 2.248469 -2.637784
H -3.852196 2.556987 -0.963103
H -2.384954 3.581391 -0.843548
H -3.042587 2.782353 0.613672
H 4.073745 -0.992415 1.981908
H 3.721087 0.773447 2.046353
H 1.668755 -1.550892 -0.780369
H 2.858615 -2.346812 0.283259
H 5.002888 1.109929 -0.098305
H 6.047530 0.279182 1.107536
H 3.733414 -2.241518 -2.063403
H 3.572107 -0.448328 -2.058401
H -3.000763 -0.836414 -2.128044
H -2.540651 0.814000 1.869061
H -4.152257 -2.816715 -1.174392
H -3.691741 -1.168463 2.818494
H -4.512320 -3.009281 1.308081


