%chk=000247790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247790

0 1
S -5.735569 0.921698 -0.054499
O -6.027071 1.071844 1.607051
O 6.607623 1.476480 -0.023210
O -5.693160 2.291941 -0.507326
O -6.749222 0.025106 -0.545193
N -0.434785 -1.681969 -0.001632
N 0.716946 -0.937841 -0.008553
C -4.202742 0.189573 -0.044968
C -1.674848 -1.014064 -0.017658
C -4.088988 -1.208461 -0.025417
C -3.040971 0.981509 -0.052021
C -2.842078 -1.820420 -0.012665
C -1.783819 0.396661 -0.040176
C 3.113020 -0.772423 0.000903
C 4.341534 -1.453014 0.033233
C 3.103657 0.640043 -0.038460
C 5.513352 0.646341 -0.012195
C 5.550258 -0.754060 0.027115
C 4.292148 1.354757 -0.045314
C 1.869296 -1.557428 0.008922
C 7.923242 0.870462 0.007485
H -4.994566 -1.829125 -0.026657
H -3.128790 2.075437 -0.074214
H -2.772738 -2.904560 0.001559
H -0.882195 1.011689 -0.047233
H -0.419818 -2.706308 0.016751
H 4.362781 -2.542945 0.063810
H 2.148616 1.172198 -0.063765
H 6.489161 -1.296451 0.052518
H 4.305776 2.442724 -0.075531
H 2.005592 -2.649973 0.029984
H -6.653445 1.759278 1.867568
H 8.575424 1.754198 -0.010026
H 8.058814 0.302502 0.932146
H 8.078064 0.252400 -0.881334


%chk=000247790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247790

0 1
S -5.947470 0.879148 -0.075881
O -6.156922 1.054656 1.771147
O 6.813390 1.438586 -0.029233
O -5.911485 2.367779 -0.713428
O -7.023465 -0.213284 -0.599138
N -0.430360 -1.558504 0.009373
N 0.710293 -0.782936 -0.002781
C -4.250924 0.142505 -0.038801
C -1.697891 -0.971763 -0.005914
C -4.135382 -1.259456 -0.006678
C -3.139590 1.006588 -0.050987
C -2.846763 -1.817081 0.004764
C -1.852703 0.445225 -0.039333
C 3.142143 -0.680501 0.004426
C 4.363235 -1.405446 0.026646
C 3.201516 0.746910 -0.028596
C 5.645514 0.669372 -0.016189
C 5.610848 -0.747439 0.016821
C 4.432341 1.412342 -0.038772
C 1.873707 -1.407303 0.015722
C 8.097725 0.731146 -0.007686
H -5.029384 -1.890386 -0.008266
H -3.282152 2.091138 -0.085607
H -2.728648 -2.906952 0.024739
H -0.960640 1.073982 -0.052178
H -0.362266 -2.586439 0.031216
H 4.339538 -2.502318 0.051941
H 2.265024 1.312664 -0.045961
H 6.532284 -1.336622 0.034631
H 4.492080 2.504581 -0.064029
H 1.937049 -2.515072 0.040893
H -7.049647 1.481488 1.926558
H 8.860540 1.522772 -0.023338
H 8.206026 0.125460 0.912639
H 8.212940 0.082959 -0.897720


