%chk=000206572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206572

0 1
S -5.680007 -0.764273 -0.918253
O -0.812823 0.022430 0.230143
O 4.557534 -0.395441 1.432732
O 1.424797 3.258183 -0.198433
O 6.001759 -0.286965 -0.388032
N -0.538594 2.645193 0.746928
C -3.039588 -0.492434 -0.237452
C -1.683673 -1.139377 0.050278
C -4.097128 -1.552922 -0.497534
C 0.521751 -0.187074 0.496180
C 1.292549 0.997534 0.563084
C 1.096874 -1.451159 0.692881
C 2.658192 0.892029 0.839013
C 3.225113 -0.375332 1.047066
C 2.460232 -1.546300 0.977615
C -6.353414 -0.288185 0.712166
C 0.755339 2.371329 0.309764
C -7.667229 0.410116 0.432899
C 5.487001 -1.135535 0.612678
C 5.181847 -0.103575 -1.560962
H -3.325785 0.161941 0.611620
H -2.943114 0.194155 -1.108511
H -1.677351 -1.731197 0.980604
H -1.303078 -1.733629 -0.797448
H -4.219046 -2.235875 0.362307
H -3.832659 -2.185353 -1.370402
H 0.500294 -2.356910 0.639219
H 3.287882 1.788739 0.890981
H 2.919044 -2.516885 1.157575
H -5.645053 0.375776 1.239339
H -6.496942 -1.186741 1.339453
H -7.538670 1.309020 -0.187107
H -8.383743 -0.241949 -0.087274
H -8.147933 0.731739 1.367370
H 5.037306 -2.053385 0.214707
H 6.344128 -1.272238 1.301298
H -1.180410 1.913853 1.015511
H -0.948688 3.539458 0.521789
H 5.822277 0.518623 -2.199933
H 4.266415 0.436968 -1.299704
H 4.964693 -1.061656 -2.037857


%chk=000206572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206572

0 1
S -6.177083 -0.985069 -0.683116
O -1.088792 0.315313 -0.079326
O 4.493288 -0.172461 0.649877
O 1.458138 3.703593 0.396002
O 6.585356 -1.243921 0.550174
N -0.711060 2.959382 0.059300
C -3.389811 -0.373790 -0.351146
C -1.946032 -0.874769 -0.221251
C -4.380906 -1.544633 -0.497588
C 0.304753 0.132921 0.092411
C 1.117342 1.300971 0.250625
C 0.898733 -1.147898 0.114147
C 2.506317 1.130618 0.427454
C 3.103296 -0.148348 0.450299
C 2.292223 -1.298340 0.292408
C -6.536028 -0.458719 1.107571
C 0.638491 2.742613 0.242632
C -8.024241 -0.101721 1.236063
C 5.188827 -1.472023 0.486145
C 7.107897 -0.436435 -0.567557
H -3.640375 0.229042 0.541613
H -3.472207 0.290000 -1.230961
H -1.826151 -1.522604 0.671727
H -1.638958 -1.444777 -1.122431
H -4.331203 -2.232910 0.366583
H -4.177040 -2.129193 -1.412427
H 0.290108 -2.048381 -0.004284
H 3.115971 2.031327 0.549262
H 2.713803 -2.307683 0.318189
H -5.897962 0.406824 1.354909
H -6.268572 -1.305942 1.764052
H -8.295300 0.730857 0.562681
H -8.664447 -0.966819 0.989158
H -8.251585 0.210438 2.272034
H 4.873279 -1.910613 -0.490415
H 4.948073 -2.142814 1.330709
H -1.348384 2.167863 -0.063102
H -1.035646 3.925119 0.048872
H 8.199477 -0.420790 -0.434263
H 6.702601 0.589184 -0.528507
H 6.853910 -0.902715 -1.542223


