%chk=000252863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252863

0 1
S 0.698595 -4.050425 -0.809962
C -0.020314 -2.813599 0.353060
C 1.078376 -1.948658 0.965149
C -1.060368 -2.057426 -0.473194
C 1.879309 -1.121835 -0.048886
C -1.929033 -1.143805 0.405052
C 2.938340 -0.258194 0.649926
C -3.009869 -0.438935 -0.425667
C 3.741321 0.567957 -0.364146
C -3.873645 0.482661 0.445981
C 4.802313 1.431901 0.330338
C -4.955167 1.186591 -0.384346
C 5.606126 2.258032 -0.683783
C -5.820394 2.109426 0.485567
C 6.664095 3.120170 0.001423
C -6.898547 2.812593 -0.336118
H -0.530191 -3.384398 1.167407
H 1.769108 -2.580107 1.559515
H 0.612463 -1.261233 1.704988
H -0.566287 -1.455393 -1.263894
H -1.715540 -2.774645 -1.012165
H 2.365111 -1.786057 -0.790815
H 1.192929 -0.477711 -0.633683
H -2.402164 -1.733613 1.213633
H -1.292477 -0.390384 0.909018
H 3.623438 -0.900407 1.236063
H 2.454709 0.415457 1.383092
H -2.538776 0.145968 -1.239302
H -3.650111 -1.190167 -0.927647
H 4.225211 -0.105058 -1.098362
H 3.057569 1.210875 -0.951409
H -3.234631 1.235485 0.946532
H -4.345300 -0.101630 1.259509
H 4.320175 2.105907 1.064083
H 5.487279 0.790373 0.917253
H -5.595624 0.435565 -0.885559
H -4.485899 1.771234 -1.198807
H 4.922387 2.901962 -1.270857
H 6.090945 1.584639 -1.417550
H -5.181343 2.863087 0.985929
H -6.292821 1.525340 1.299474
H 1.744230 -4.477634 -0.071778
H 7.231718 3.706088 -0.730079
H 6.213769 3.825894 0.708595
H 7.382044 2.509611 0.560668
H -7.511151 3.468246 0.292666
H -7.573135 2.094370 -0.815915
H -6.462772 3.431578 -1.128602


%chk=000252863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252863

0 1
S 0.786389 -4.187906 -0.849875
C 0.005330 -2.884600 0.332966
C 1.081194 -1.958511 0.943734
C -1.100123 -2.170679 -0.477011
C 1.814648 -1.030312 -0.048634
C -1.901472 -1.144299 0.358848
C 2.964908 -0.248520 0.625605
C -3.081132 -0.526347 -0.426592
C 3.725936 0.685262 -0.342228
C -3.873234 0.515571 0.394907
C 4.889413 1.443880 0.335451
C -5.045556 1.152150 -0.385552
C 5.666307 2.368324 -0.629711
C -5.833255 2.194923 0.440097
C 6.830299 3.114754 0.057540
C -7.000051 2.830638 -0.346663
H -0.465345 -3.474590 1.141770
H 1.828254 -2.583787 1.474687
H 0.593043 -1.341139 1.727515
H -0.652980 -1.666628 -1.356198
H -1.796891 -2.935428 -0.873967
H 2.215864 -1.637944 -0.883938
H 1.097529 -0.311111 -0.494466
H -2.290104 -1.636156 1.275185
H -1.232849 -0.328233 0.699886
H 3.681255 -0.970793 1.071391
H 2.563055 0.349591 1.470925
H -2.695156 -0.048677 -1.351348
H -3.767223 -1.333718 -0.757009
H 4.121530 0.088030 -1.190159
H 3.017183 1.417664 -0.782759
H -3.182286 1.316335 0.733100
H -4.265100 0.034888 1.315883
H 4.493454 2.047229 1.179396
H 5.592972 0.710358 0.782759
H -5.739589 0.354406 -0.723989
H -4.655214 1.634610 -1.306152
H 4.964560 3.103382 -1.074443
H 6.058946 1.764635 -1.473416
H -5.138277 2.989936 0.780023
H -6.224677 1.711539 1.358613
H 1.615055 -4.765574 0.099597
H 7.371437 3.766373 -0.653115
H 6.460478 3.750212 0.884522
H 7.559960 2.401182 0.485269
H -7.545472 3.573180 0.264551
H -7.725737 2.060627 -0.670295
H -6.631276 3.344972 -1.254300


