%chk=000217046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217046

0 1
S 0.526280 1.589003 0.891481
O 0.536409 -0.950576 1.631743
N 4.326232 0.685350 -0.239868
N -1.560078 -0.073255 1.174308
N 6.895947 -0.515269 -0.865213
C -3.591013 -0.270175 -0.849770
C -3.267319 -1.452759 0.064257
C -3.343161 1.040691 -0.103913
C 5.004535 0.939133 -1.553778
C 4.687562 -0.684409 0.255184
C -2.248266 -1.341502 1.037655
C -2.352949 1.106381 0.901771
C 6.532357 0.853626 -1.361059
C 6.214263 -0.772535 0.446975
C -2.642109 -0.325584 -2.063291
C -5.052869 -0.343918 -1.326786
C 2.837249 0.838620 -0.362695
C -3.920684 -2.684192 -0.057263
C -4.066467 2.204901 -0.387862
C 2.308272 1.238696 1.013536
C -1.898799 -2.420401 1.862553
C -2.172490 2.263717 1.675271
C -0.165823 -0.027905 1.301510
C 8.376857 -0.636786 -0.714300
C -3.582873 -3.765638 0.762610
C -3.850169 3.382090 0.334368
C -2.573557 -3.634151 1.719503
C -2.918155 3.405779 1.375038
H 4.736625 1.961459 -1.894928
H 4.688922 0.226190 -2.346732
H 4.349988 -1.492486 -0.430987
H 4.181849 -0.850429 1.230546
H 7.033709 1.012613 -2.339101
H 6.867956 1.664964 -0.679000
H 6.532397 -0.068270 1.246044
H 6.482064 -1.797293 0.781322
H -2.763467 -1.259712 -2.621764
H -2.827125 0.505146 -2.752196
H -1.592000 -0.264248 -1.752776
H -5.300096 0.482692 -2.002866
H -5.251212 -1.271077 -1.877297
H -5.748227 -0.303084 -0.479801
H 2.331964 -0.084508 -0.724640
H 2.607933 1.634310 -1.106174
H -4.702820 -2.812059 -0.807151
H -4.812163 2.199214 -1.184435
H 2.804028 2.157839 1.386775
H 2.496123 0.445723 1.768673
H -1.094528 -2.315916 2.594774
H -1.477748 2.278692 2.516608
H 8.619783 -1.662595 -0.393348
H 8.832387 0.065985 -0.001499
H 8.849948 -0.489062 -1.698319
H -4.106465 -4.713119 0.650247
H -4.417920 4.278387 0.091264
H -2.307223 -4.477537 2.355426
H -2.771963 4.313846 1.958770


%chk=000217046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217046

0 1
S 0.501553 2.046253 0.854895
O 0.709755 -0.615987 1.515600
N 4.258713 0.692921 -0.382150
N -1.489309 0.119961 1.143621
N 6.713080 -0.771216 -0.842771
C -3.390132 -0.235133 -0.899243
C -3.049173 -1.413948 0.039333
C -3.447836 1.030605 -0.021561
C 5.020659 0.855645 -1.644282
C 4.448868 -0.675284 0.164285
C -2.045211 -1.218479 1.029273
C -2.441820 1.196015 0.969736
C 6.514966 0.589520 -1.395474
C 5.941129 -0.944507 0.411870
C -2.227761 -0.068735 -1.940986
C -4.702542 -0.468172 -1.680971
C 2.835462 1.088540 -0.478572
C -3.651424 -2.689966 -0.049341
C -4.435849 2.034684 -0.138572
C 2.350960 1.641788 0.875408
C -1.640692 -2.263360 1.888077
C -2.443039 2.310190 1.838621
C -0.103916 0.304132 1.249054
C 8.138711 -1.108527 -0.676734
C -3.252723 -3.746680 0.799979
C -4.421406 3.174894 0.696127
C -2.242554 -3.533887 1.763797
C -3.424165 3.312105 1.687179
H 4.888511 1.890948 -2.010407
H 4.661357 0.154740 -2.439125
H 4.054010 -1.446366 -0.543134
H 3.889673 -0.773018 1.111544
H 7.067999 0.668081 -2.350740
H 6.907274 1.376832 -0.700807
H 6.303493 -0.252998 1.215737
H 6.074112 -1.983695 0.767607
H -2.135360 -0.985067 -2.551446
H -2.443928 0.783828 -2.609996
H -1.258617 0.120149 -1.450075
H -4.904609 0.378795 -2.359808
H -4.619263 -1.367445 -2.315834
H -5.570281 -0.593806 -1.008684
H 2.180400 0.239320 -0.785891
H 2.735141 1.875505 -1.248952
H -4.436641 -2.869779 -0.789413
H -5.230025 1.932484 -0.883995
H 2.857476 2.585893 1.131656
H 2.497267 0.908322 1.683720
H -0.863654 -2.083769 2.632977
H -1.688316 2.388556 2.626464
H 8.236330 -2.151925 -0.326019
H 8.669636 -0.447048 0.055410
H 8.657142 -1.025539 -1.649245
H -3.729393 -4.728797 0.709015
H -5.193276 3.943850 0.582839
H -1.929255 -4.347903 2.426255
H -3.419607 4.181076 2.353554


