%chk=000235923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235923

0 1
S 1.158983 0.711929 1.559026
O -4.419839 -2.326060 -0.099863
N 1.270213 0.648446 -1.130822
C -0.942638 -0.031428 -0.091536
C 0.255513 0.861792 -0.067866
C -2.231663 0.567468 -0.088042
C -2.421168 2.079319 -0.069378
C -0.838142 -1.442811 -0.093397
C 2.561025 0.330200 -0.622742
C -3.381131 -0.224936 -0.088762
C 2.698812 0.394903 0.786467
C -2.963805 2.511734 1.296895
C -3.331212 2.535576 -1.214402
C -1.994072 -2.240392 -0.103662
C -3.244487 -1.618253 -0.096521
C 0.470007 -2.164120 -0.090619
C 3.673539 0.040745 -1.420765
C 3.919537 0.199522 1.405208
C 4.909429 -0.156602 -0.789441
C 5.037227 -0.079412 0.599817
H -0.044605 1.953552 -0.145935
H -1.423775 2.588326 -0.216993
H 0.949243 0.086899 -1.921582
H -4.376499 0.214556 -0.079547
H -3.951528 2.081434 1.500240
H -3.062491 3.601201 1.356462
H -2.298168 2.193663 2.108994
H -2.968183 2.170691 -2.182274
H -3.377219 3.629229 -1.266925
H -4.359181 2.173680 -1.094432
H -1.912478 -3.321594 -0.107652
H 1.112106 -1.842531 0.747442
H 0.353161 -3.251116 0.022290
H 1.037840 -2.008532 -1.016038
H 3.589774 -0.008760 -2.501807
H 4.020022 0.257000 2.488081
H 5.786501 -0.373242 -1.399649
H 6.007382 -0.234013 1.065875
H -4.268232 -3.303564 -0.093145


%chk=000235923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235923

0 1
S 1.146930 0.349737 1.780723
O -4.796452 -2.232334 -0.453116
N 1.285801 0.095024 -0.987834
C -1.054801 -0.260293 -0.156959
C 0.252257 0.484921 -0.050895
C -2.281608 0.481717 -0.294482
C -2.304625 2.021635 -0.295298
C -1.095132 -1.692545 -0.110082
C 2.616027 0.278306 -0.525924
C -3.503435 -0.216373 -0.392881
C 2.742510 0.438078 0.888847
C -2.176093 2.561341 1.159875
C -3.550283 2.636697 -0.976738
C -2.339603 -2.358094 -0.204837
C -3.534078 -1.623524 -0.350485
C 0.146761 -2.557733 0.065081
C 3.764461 0.273358 -1.343922
C 4.012790 0.575378 1.477251
C 5.042714 0.407207 -0.747801
C 5.167043 0.560796 0.651369
H 0.115150 1.572269 -0.077012
H -1.428621 2.382086 -0.870383
H 1.089527 -0.697529 -1.601884
H -4.451548 0.313219 -0.507350
H -3.043207 2.235363 1.763704
H -2.151342 3.666904 1.160591
H -1.261391 2.197149 1.661161
H -3.704980 2.230696 -1.992702
H -3.422394 3.731407 -1.059697
H -4.470365 2.460915 -0.389271
H -2.365108 -3.455206 -0.156989
H 0.892011 -2.076316 0.720094
H -0.126692 -3.529810 0.511348
H 0.640587 -2.780509 -0.901693
H 3.659851 0.181422 -2.430500
H 4.112532 0.687700 2.561615
H 5.936558 0.405261 -1.381029
H 6.156772 0.673774 1.106689
H -4.718726 -3.217597 -0.405584


