%chk=000257088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257088

0 1
S 0.224871 -1.039403 1.473141
O -0.658681 0.466837 -1.974812
N 1.243518 0.748523 -0.729597
C -0.877394 -0.036561 0.389083
C -1.218510 1.213951 1.214748
C -2.106941 -0.890545 0.069793
C -0.132803 0.376851 -0.893366
C 1.740123 -1.299821 0.508940
C -2.132028 2.185309 0.471337
C -1.802393 -2.161046 -0.716856
C 2.107933 0.030299 -0.088850
C 3.510911 0.504271 0.083894
H -0.283085 1.743163 1.500935
H -1.697550 0.915513 2.170709
H -2.818386 -0.266894 -0.520246
H -2.638757 -1.147328 1.008828
H 1.593966 -2.077639 -0.266802
H 2.503646 -1.699713 1.205648
H -1.706138 2.491323 -0.494897
H -3.117032 1.750840 0.264862
H -2.291845 3.098068 1.057328
H -1.326444 -1.934762 -1.680690
H -1.151483 -2.849442 -0.166290
H -2.727628 -2.706119 -0.941958
H 4.238035 -0.224264 -0.300940
H 3.740750 0.685051 1.145231
H 3.691744 1.455737 -0.448571


%chk=000257088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257088

0 1
S 0.290311 -1.218692 1.487291
O -0.617379 0.200993 -2.090741
N 1.229216 0.757623 -0.760507
C -0.855702 -0.105704 0.345081
C -1.120562 1.192907 1.174348
C -2.157906 -0.881897 0.031254
C -0.078569 0.252379 -0.952027
C 1.823588 -1.336348 0.362322
C -2.028653 2.221914 0.462593
C -1.982125 -2.253156 -0.651037
C 2.133139 0.076717 -0.103754
C 3.464148 0.691413 0.238363
H -0.148632 1.659435 1.416662
H -1.579089 0.891112 2.136769
H -2.768752 -0.236948 -0.628115
H -2.715679 -1.000675 0.981462
H 1.595254 -2.008174 -0.481747
H 2.623245 -1.768830 0.981961
H -1.621467 2.508796 -0.523571
H -3.051174 1.835327 0.308996
H -2.105768 3.137419 1.076501
H -1.508305 -2.139564 -1.640707
H -1.366223 -2.929667 -0.031863
H -2.968221 -2.729010 -0.802031
H 4.293050 0.092378 -0.184497
H 3.604917 0.703034 1.336636
H 3.525736 1.719415 -0.149040


