%chk=000299230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299230

0 1
S 2.963940 0.662439 -0.879640
O 2.450528 -1.637563 0.391034
N 4.665449 -1.169515 0.007962
C -1.052270 0.461076 -0.177676
C -2.106892 -0.520918 0.038196
C -1.377827 1.838024 -0.200291
C -3.441332 -0.078724 0.200129
C 0.301087 0.070907 -0.371769
C -2.753042 2.252383 -0.026655
C -3.737708 1.337401 0.160648
C -0.350569 2.802840 -0.392995
C -1.835423 -1.914738 0.095711
C 1.270428 1.030710 -0.557059
C -4.477326 -1.029478 0.404534
C 0.961719 2.411368 -0.562647
C -2.854537 -2.824251 0.297031
C -4.188624 -2.378793 0.450775
C 3.316708 -0.909227 -0.041483
C 5.687165 -0.251013 -0.534999
C 5.140857 -2.436283 0.611856
H 0.556551 -0.997819 -0.353393
H -2.970457 3.319646 -0.052624
H -4.775883 1.643193 0.288739
H -0.613358 3.860123 -0.400596
H -0.803818 -2.259674 -0.015904
H -5.501127 -0.679093 0.525136
H 1.748207 3.154400 -0.697647
H -2.640946 -3.891155 0.341096
H -4.979553 -3.110307 0.607049
H 5.617365 0.747803 -0.063147
H 5.579545 -0.133812 -1.629605
H 6.702311 -0.635070 -0.341190
H 4.281690 -3.034638 0.976753
H 5.800142 -2.233484 1.471880
H 5.686003 -3.042560 -0.129910


%chk=000299230-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299230

0 1
S 2.971392 0.566728 -1.242140
O 2.544747 -1.226783 0.853004
N 4.748363 -1.084388 0.080572
C -1.073488 0.425971 -0.242385
C -2.147247 -0.557364 -0.066807
C -1.368643 1.828173 -0.071562
C -3.476756 -0.094606 0.252958
C 0.259378 0.050392 -0.589390
C -2.713197 2.246181 0.254869
C -3.727968 1.321589 0.406639
C -0.325694 2.791857 -0.229925
C -1.937987 -1.965167 -0.192725
C 1.263357 1.016678 -0.728730
C -4.534927 -1.040716 0.421181
C 0.979826 2.400551 -0.543602
C -2.989653 -2.876336 -0.022565
C -4.301620 -2.413960 0.284396
C 3.412652 -0.736821 0.089381
C 5.762792 -0.505499 -0.815257
C 5.198725 -2.173765 0.971562
H 0.517649 -0.999049 -0.738574
H -2.911036 3.317543 0.377887
H -4.746345 1.646145 0.651242
H -0.559992 3.853953 -0.092675
H -0.939178 -2.351696 -0.415755
H -5.538685 -0.670755 0.662616
H 1.780668 3.139398 -0.645567
H -2.800327 -3.950765 -0.122241
H -5.118905 -3.131418 0.415889
H 5.481428 0.516276 -1.115956
H 5.902509 -1.118788 -1.726616
H 6.725997 -0.450852 -0.277432
H 4.335208 -2.544939 1.542542
H 5.966082 -1.800579 1.675505
H 5.629879 -3.002989 0.378958


