%chk=000257101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257101

0 1
S -1.861754 0.858156 -0.398562
O 2.647540 2.707038 0.047437
O 2.451473 -2.033686 -0.668479
O -1.957843 1.443692 -1.720746
O -1.487721 1.684303 0.737590
O 6.150126 -0.028122 1.071339
N -0.706939 -0.434343 -0.526079
N 4.355421 1.341223 0.594997
N 4.256386 -1.023478 0.210817
C 2.147341 0.331875 -0.141283
C 1.396886 0.603241 -1.465982
C 1.154055 0.209812 1.040030
C 0.220579 -0.365477 -1.685214
C 0.016919 -0.779491 0.724101
C 3.020938 1.563374 0.146352
C 2.909401 -0.993452 -0.252785
C -3.322472 0.017964 -0.008937
C 5.015612 0.087866 0.666108
C -3.890298 0.172749 1.260398
C -3.939812 -0.797679 -0.961604
C -5.074741 -0.495826 1.580553
C -5.125128 -1.468142 -0.641909
C -5.690477 -1.316923 0.628565
H 2.091821 0.544811 -2.325316
H 1.021384 1.654518 -1.459254
H 0.706387 1.216727 1.250255
H 1.676486 -0.087666 1.966960
H -0.348185 -0.064341 -2.597135
H 0.608385 -1.399465 -1.867933
H 0.425730 -1.813795 0.603175
H -0.698259 -0.817672 1.574796
H 4.911316 2.171571 0.862337
H 4.743723 -1.935620 0.194699
H -3.410634 0.823903 2.001368
H -3.504539 -0.912085 -1.958815
H -5.519349 -0.374916 2.567388
H -5.607321 -2.104279 -1.382884
H -6.615539 -1.838765 0.877850


%chk=000257101-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257101

0 1
S -1.900796 0.929842 -0.520047
O 2.818164 2.746578 -0.144265
O 2.606923 -1.994275 -0.961653
O -2.123741 1.496515 -2.032616
O -1.529636 1.939102 0.720237
O 5.976883 -0.153473 1.642458
N -0.639505 -0.521322 -0.711337
N 4.320436 1.271429 0.804564
N 4.207946 -1.050492 0.402832
C 2.243076 0.350527 -0.271428
C 1.473085 0.658419 -1.589780
C 1.193046 0.228634 0.909817
C 0.273652 -0.280339 -1.862189
C 0.062868 -0.773975 0.576092
C 3.135597 1.556182 0.093991
C 3.015719 -0.974749 -0.344020
C -3.431630 -0.037155 0.019637
C 4.907443 0.011780 1.007435
C -3.869038 0.134029 1.342128
C -4.082588 -0.843287 -0.928159
C -5.032269 -0.566053 1.741403
C -5.242649 -1.533921 -0.508792
C -5.711456 -1.397449 0.820575
H 2.166082 0.596346 -2.449755
H 1.126883 1.705620 -1.525878
H 0.748291 1.228369 1.067632
H 1.696344 -0.080265 1.845776
H -0.333847 0.133405 -2.686663
H 0.627362 -1.285242 -2.154821
H 0.456128 -1.805527 0.491633
H -0.679733 -0.768970 1.394295
H 4.852677 2.073805 1.157507
H 4.666732 -1.966616 0.450537
H -3.329079 0.806382 2.017102
H -3.705921 -0.922435 -1.952320
H -5.406246 -0.455750 2.764527
H -5.778048 -2.173162 -1.218314
H -6.612259 -1.934910 1.136055


