%chk=000285722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285722

0 1
S -4.165233 -1.241866 -0.318787
O 1.873553 -2.459176 -0.831054
N 0.524304 -1.509263 0.746853
N -2.019291 0.113663 0.187166
N -2.678940 3.400425 1.127263
C -0.500085 -2.562489 0.607479
C -1.526589 -2.247022 -0.506326
C -2.389917 -1.091127 -0.188135
C 1.626859 -1.495491 -0.123517
C 2.481602 -0.269872 -0.041838
C 3.867942 -0.428260 0.090266
C 1.919197 1.010763 -0.131867
C -3.133928 0.967133 0.386125
C -4.364990 0.407915 0.158490
C 4.690825 0.699814 0.150247
C 2.748446 2.134216 -0.075892
C 4.131579 1.979390 0.068735
C -2.879957 2.311744 0.796202
H -1.012680 -2.691127 1.585853
H 0.007053 -3.529215 0.360427
H -0.971272 -2.044747 -1.458979
H -2.122238 -3.161672 -0.716076
H 0.210519 -0.644349 1.191716
H 4.296695 -1.431146 0.137456
H 0.841352 1.136131 -0.254492
H -5.334717 0.874015 0.246248
H 5.768043 0.580641 0.256210
H 2.315337 3.131436 -0.145302
H 4.774528 2.857839 0.114827


%chk=000285722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285722

0 1
S -4.282756 -1.151338 -0.877118
O 2.225501 -2.647280 -0.100381
N 0.399664 -1.356589 0.530380
N -2.194321 -0.066424 0.377141
N -2.863983 3.234336 1.520735
C -0.518011 -2.494228 0.592458
C -1.665799 -2.390183 -0.447368
C -2.545032 -1.187301 -0.231099
C 1.728243 -1.503927 0.167388
C 2.561815 -0.245837 0.108316
C 3.948746 -0.406825 -0.142576
C 2.038927 1.064267 0.276984
C -3.231714 0.890178 0.391430
C -4.416113 0.499305 -0.225930
C 4.799898 0.714797 -0.216474
C 2.891218 2.187459 0.201496
C 4.273691 2.016740 -0.043417
C -3.029182 2.166509 1.009109
H -0.949054 -2.578915 1.608314
H 0.078571 -3.399681 0.387891
H -1.224949 -2.339540 -1.462831
H -2.278380 -3.310617 -0.409774
H -0.012910 -0.441831 0.727874
H 4.327242 -1.425387 -0.277232
H 0.971348 1.237418 0.458360
H -5.333827 1.073471 -0.328120
H 5.869608 0.576480 -0.408383
H 2.476770 3.193001 0.332474
H 4.932784 2.890246 -0.100348


