%chk=000290472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290472

0 1
S -5.801890 1.607255 0.135823
O 0.592277 2.256977 0.022010
N 0.212467 -0.007934 0.235257
N 2.060732 -1.545373 0.399971
N -1.168465 0.031770 0.232531
C -0.158348 -2.526759 0.456791
C 0.763146 -1.339324 0.363050
C -0.659142 -2.949151 -0.934306
C 2.521792 0.853804 0.175481
C 2.974037 -0.478620 0.309071
C 1.087497 1.152077 0.132357
C -1.524750 -4.202219 -0.850134
C 3.462008 1.905253 0.084443
C 4.362288 -0.755969 0.352097
C 4.817489 1.624374 0.127047
C 5.264204 0.290837 0.261302
C -1.854481 1.133546 0.108753
C -3.319791 1.022492 0.118886
C -4.042147 -0.238060 0.112722
C -4.148260 2.114304 0.130363
C -5.392227 -0.083061 0.120203
H 0.386719 -3.373304 0.934692
H -1.019820 -2.302789 1.123506
H -1.237603 -2.120219 -1.391869
H 0.206005 -3.131473 -1.603581
H -2.403588 -4.048015 -0.213490
H -0.968317 -5.054792 -0.442783
H -1.887827 -4.495487 -1.842641
H 3.096200 2.930946 -0.018742
H 4.691956 -1.790542 0.455884
H 5.548444 2.428310 0.057665
H 6.336808 0.090769 0.293129
H -1.460233 2.161876 -0.003474
H -3.514471 -1.185422 0.102626
H -3.876178 3.156756 0.137074
H -6.154030 -0.843134 0.117587


%chk=000290472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290472

0 1
S -5.876575 1.652854 0.026448
O 0.613017 2.310260 0.068567
N 0.256514 -0.028822 0.246403
N 2.114327 -1.569901 0.398282
N -1.156452 -0.025848 0.218735
C -0.129744 -2.524497 0.436185
C 0.812166 -1.344725 0.365365
C -0.697940 -2.938771 -0.951409
C 2.544754 0.858829 0.194361
C 3.005642 -0.488946 0.308985
C 1.101818 1.142507 0.162871
C -1.595831 -4.188914 -0.843522
C 3.474189 1.930121 0.111624
C 4.404025 -0.746197 0.338009
C 4.851885 1.662004 0.141071
C 5.315158 0.319261 0.254342
C -1.858983 1.090981 0.140426
C -3.317330 0.973014 0.115353
C -4.067104 -0.272872 0.154728
C -4.147427 2.092949 0.045263
C -5.433128 -0.093955 0.115772
H 0.460602 -3.360045 0.849836
H -0.970609 -2.305604 1.115942
H -1.275237 -2.094689 -1.371776
H 0.145089 -3.139848 -1.640118
H -2.456879 -4.004518 -0.172636
H -1.034150 -5.051498 -0.438762
H -1.994485 -4.478827 -1.832688
H 3.085845 2.949985 0.025932
H 4.734435 -1.785341 0.426401
H 5.572689 2.483893 0.077608
H 6.391749 0.117546 0.276788
H -1.412937 2.089944 0.091342
H -3.577153 -1.246757 0.209292
H -3.861333 3.143178 0.003184
H -6.228107 -0.837050 0.131096


