%chk=000259211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259211

0 1
S 5.848385 1.948998 -0.190912
O -6.979695 0.633669 -0.494096
N 4.878866 -0.376208 0.401577
C 0.484175 -1.197329 -0.582292
C 1.456037 -0.030350 -0.213997
C -0.846969 -1.059444 0.169015
C -1.513653 0.271722 -0.281150
C 2.750317 -0.491132 -0.971177
C -2.881052 0.502623 0.443082
C 0.823650 1.272325 -0.735099
C -0.563564 1.477372 -0.101026
C 1.335508 -2.461442 -0.380563
C 2.769277 -2.032965 -0.775300
C -1.782769 -2.238264 -0.140130
C 1.743243 0.079963 1.288922
C -3.765464 -0.738146 0.302305
C -3.126268 -2.072118 0.573780
C -3.571787 1.724209 -0.225134
C -2.699894 0.757548 1.950089
C 3.985924 0.227445 -0.526171
C -5.043907 1.867176 0.151298
C -5.078434 -0.667133 0.026021
C -5.815098 0.597641 -0.153784
C 4.359111 1.475980 -0.946650
C 5.905487 0.389211 0.684163
C 7.023286 0.101145 1.592033
H 0.256678 -1.127569 -1.677801
H -0.655768 -1.024435 1.268240
H -1.735651 0.177164 -1.374629
H 2.618298 -0.280704 -2.062822
H 0.737855 1.248374 -1.836639
H 1.471912 2.136903 -0.500972
H -0.437401 1.695782 0.978000
H -1.025545 2.381999 -0.540339
H 0.978471 -3.299444 -0.997725
H 1.303342 -2.805770 0.666584
H 3.488905 -2.328955 0.010274
H 3.101080 -2.532066 -1.698371
H -1.310139 -3.189612 0.170299
H -1.945363 -2.325813 -1.232121
H 2.342636 0.968750 1.514214
H 0.822042 0.140167 1.877457
H 2.311470 -0.785976 1.652695
H -2.990008 -2.176747 1.672789
H -3.802324 -2.904041 0.285686
H -3.489302 1.634789 -1.327693
H -3.031135 2.651799 0.044469
H -2.178320 1.702876 2.136855
H -3.665654 0.811108 2.465574
H -2.113318 -0.037341 2.425016
H -5.503347 2.723250 -0.383129
H -5.160119 2.101084 1.229238
H -5.699265 -1.558574 -0.079413
H 3.853779 2.121149 -1.641310
H 7.992804 0.107065 1.066816
H 7.087691 0.833660 2.413368
H 6.918284 -0.896066 2.058787


%chk=000259211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259211

0 1
S 6.134573 1.821958 -0.741792
O -7.034402 0.688682 -0.806519
N 4.861117 -0.219566 0.404964
C 0.501567 -1.195937 -0.475504
C 1.492740 -0.046776 -0.107778
C -0.862149 -1.083512 0.235781
C -1.511266 0.290992 -0.134591
C 2.736878 -0.499399 -0.962106
C -2.941121 0.511707 0.514242
C 0.849515 1.290494 -0.543986
C -0.542689 1.483988 0.116746
C 1.344135 -2.485181 -0.314344
C 2.783744 -2.057274 -0.763093
C -1.804842 -2.240568 -0.161916
C 1.855661 -0.012287 1.399595
C -3.815384 -0.722301 0.222298
C -3.200051 -2.083394 0.488443
C -3.585321 1.782692 -0.124848
C -2.852883 0.686709 2.064518
C 4.046263 0.195646 -0.674259
C -5.106472 1.900032 0.101429
C -5.110859 -0.625792 -0.221751
C -5.843429 0.647166 -0.367791
C 4.562876 1.259046 -1.398572
C 5.967355 0.486463 0.532335
C 7.029881 0.288138 1.572039
H 0.295397 -1.080860 -1.566402
H -0.699909 -1.133087 1.333493
H -1.689195 0.246996 -1.235132
H 2.479132 -0.284616 -2.019556
H 0.730004 1.292451 -1.648707
H 1.503662 2.147349 -0.286985
H -0.407133 1.637198 1.204173
H -0.990097 2.415554 -0.276440
H 0.953867 -3.321065 -0.921680
H 1.343467 -2.820311 0.740590
H 3.538197 -2.311752 0.000244
H 3.085428 -2.557261 -1.700838
H -1.367318 -3.211495 0.138363
H -1.911679 -2.260099 -1.266390
H 2.530627 0.837585 1.606238
H 0.963738 0.106087 2.038994
H 2.385391 -0.925776 1.717850
H -3.086360 -2.214798 1.586171
H -3.885154 -2.880452 0.145993
H -3.393165 1.760539 -1.217032
H -3.089360 2.688183 0.270814
H -2.292785 1.602046 2.324589
H -3.861554 0.772687 2.506919
H -2.349787 -0.167993 2.549522
H -5.527809 2.776195 -0.422666
H -5.331019 2.039311 1.178989
H -5.688467 -1.531960 -0.448086
H 4.136448 1.748778 -2.272102
H 8.006976 0.049214 1.114078
H 7.165637 1.192338 2.192840
H 6.734686 -0.547408 2.226818


