%chk=000241557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241557

0 1
S -0.178962 2.144329 0.645317
O 0.884434 -2.538956 -0.473990
N -1.958704 0.397966 -0.338748
N 0.313677 -0.336983 -0.135292
C -1.480822 -2.065909 -0.273652
C -2.316940 -0.936252 -0.894968
C -3.075368 1.383580 -0.103480
C 0.008415 -1.723007 -0.316609
C -0.671331 0.671752 0.030671
C -1.874762 -2.369641 1.169767
C -3.904095 0.943949 1.105268
C -3.924371 1.515293 -1.370332
C 1.717893 0.076114 -0.030438
C 2.337066 0.659719 -1.145075
C 2.413917 -0.154089 1.164404
C 3.683404 1.021193 -1.049599
C 3.760385 0.213530 1.236250
C 4.394153 0.798299 0.134805
H -1.625059 -2.993743 -0.890796
H -2.161576 -0.908848 -2.000086
H -3.399662 -1.134423 -0.725452
H -2.611244 2.390615 0.116758
H -2.908070 -2.730838 1.234247
H -1.231655 -3.148116 1.605138
H -1.797512 -1.482319 1.813474
H -4.706500 1.664980 1.306083
H -4.371402 -0.036378 0.971891
H -3.285023 0.895673 2.012177
H -3.302819 1.723434 -2.251306
H -4.623813 2.356267 -1.270223
H -4.524784 0.626356 -1.585607
H 1.778974 0.838886 -2.061416
H 1.914851 -0.602020 2.020909
H 4.179274 1.480800 -1.903404
H 4.315827 0.044993 2.157807
H 5.442403 1.083396 0.200209


%chk=000241557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241557

0 1
S -0.235178 2.252722 0.771004
O 0.940683 -2.553996 -0.248623
N -1.984799 0.358191 -0.177602
N 0.300797 -0.302321 -0.064807
C -1.459288 -2.064533 -0.147690
C -2.257012 -0.942425 -0.830939
C -3.121606 1.319935 -0.024534
C 0.022592 -1.697025 -0.169732
C -0.692759 0.715201 0.146434
C -1.923678 -2.356480 1.302793
C -4.176364 0.788640 0.970321
C -3.722835 1.677054 -1.402631
C 1.711470 0.086726 -0.041065
C 2.281372 0.674697 -1.189206
C 2.491922 -0.170153 1.104437
C 3.648542 1.026835 -1.183162
C 3.858859 0.180442 1.104830
C 4.439029 0.781691 -0.036433
H -1.553597 -2.989945 -0.743807
H -1.991649 -0.888049 -1.907313
H -3.337962 -1.147799 -0.762448
H -2.658945 2.227742 0.403270
H -2.970275 -2.711512 1.304385
H -1.292381 -3.140664 1.754072
H -1.865123 -1.453294 1.935313
H -4.952560 1.559020 1.126956
H -4.684725 -0.123026 0.603142
H -3.714096 0.564259 1.947340
H -2.947328 2.088441 -2.072215
H -4.507144 2.444327 -1.275033
H -4.189018 0.803811 -1.896454
H 1.657792 0.862543 -2.069401
H 2.031975 -0.633488 1.982864
H 4.094584 1.489927 -2.070085
H 4.468933 -0.013283 1.993717
H 5.499970 1.055392 -0.033000


