%chk=000232727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232727

0 1
S -3.352682 1.478111 1.980638
S 3.430521 -2.213212 0.967028
N -1.135906 0.723919 0.675495
N 1.193429 -0.937466 0.203811
C -0.377232 0.808932 -0.627038
C 0.259152 -0.577797 -0.913238
C -0.217306 0.322993 1.793207
C 0.424240 -1.041696 1.486239
C -1.325734 1.161947 -1.778906
C -1.866907 1.961057 1.014632
C 1.940424 -2.178633 -0.098362
C -4.402453 0.682988 0.814192
C 4.513405 -1.011225 0.277180
C -5.663344 1.239666 0.581145
C -4.010934 -0.503150 0.191523
C 5.799113 -1.428938 -0.079667
C 4.128473 0.324521 0.154539
C -6.546525 0.593986 -0.286117
C -4.893728 -1.141089 -0.684754
C -6.166062 -0.599180 -0.925783
C 6.714357 -0.490646 -0.559906
C 5.044256 1.259022 -0.337318
C 6.341755 0.858780 -0.693512
C -7.122120 -1.281476 -1.849661
C 7.331596 1.852629 -1.208705
H 0.441297 1.573155 -0.568520
H -0.541936 -1.332674 -1.065276
H 0.843286 -0.517007 -1.855888
H -0.821381 0.236117 2.724820
H 0.579210 1.076226 1.981191
H 1.130434 -1.304456 2.305714
H -0.358930 -1.830144 1.457682
H -0.825076 1.082990 -2.749026
H -2.200977 0.496274 -1.795446
H -1.710126 2.185739 -1.692052
H -2.189852 2.513885 0.107117
H -1.318631 2.674981 1.665924
H 2.249563 -2.199690 -1.164098
H 1.401481 -3.125442 0.120208
H -5.960887 2.167924 1.070519
H -3.019022 -0.924667 0.382605
H 6.091153 -2.475589 0.014874
H 3.117173 0.636606 0.433586
H -7.532066 1.016499 -0.467586
H -4.593185 -2.064763 -1.173238
H 7.718702 -0.805828 -0.833447
H 4.747888 2.300457 -0.437763
H -7.989351 -1.673466 -1.297780
H -7.508373 -0.591377 -2.612831
H -6.669814 -2.128629 -2.380858
H 6.898425 2.851109 -1.349925
H 8.177024 1.963670 -0.513839
H 7.746587 1.541458 -2.177826


%chk=000232727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232727

0 1
S -3.442496 0.091605 2.087425
S 3.458550 -0.447041 2.192561
N -0.636586 1.212443 2.016274
N 0.625273 -1.407323 1.902572
C 0.088140 0.793309 0.780092
C 0.113614 -0.765975 0.670172
C -0.057377 0.602094 3.236654
C -0.057054 -0.952416 3.135729
C -0.451442 1.434669 -0.505508
C -1.992571 1.582703 2.024247
C 1.958225 -1.851393 1.961983
C -3.848016 -0.121741 0.313161
C 3.837350 -0.059183 0.439769
C -4.405390 0.940547 -0.444115
C -3.635533 -1.372905 -0.321132
C 4.266103 -1.068171 -0.462204
C 3.744514 1.276217 -0.026336
C -4.721448 0.757999 -1.808591
C -3.973325 -1.551749 -1.681252
C -4.517299 -0.491212 -2.451729
C 4.570494 -0.746972 -1.802096
C 4.070947 1.591407 -1.365729
C 4.481951 0.588246 -2.279704
C -4.903276 -0.696907 -3.906535
C 4.838986 0.926029 -3.717259
H 1.135289 1.124737 0.925963
H -0.915265 -1.125176 0.476386
H 0.756311 -1.061491 -0.178424
H -0.647145 0.922132 4.114548
H 0.983005 0.959887 3.353520
H 0.453893 -1.389944 4.012019
H -1.103705 -1.309985 3.113216
H 0.230157 1.192841 -1.340401
H -1.458490 1.065546 -0.769826
H -0.488992 2.535383 -0.414767
H -2.296102 2.146128 1.132624
H -2.268431 2.106724 2.951561
H 2.276763 -2.352205 1.035825
H 2.151875 -2.469902 2.850978
H -4.609007 1.901646 0.041893
H -3.214693 -2.202947 0.257127
H 4.389198 -2.097498 -0.105703
H 3.430669 2.066605 0.664610
H -5.148233 1.593736 -2.377228
H -3.805795 -2.528965 -2.151294
H 4.901911 -1.541910 -2.482307
H 4.001925 2.632983 -1.703113
H -5.949167 -1.051046 -3.994295
H -4.826254 0.241378 -4.483907
H -4.261161 -1.451779 -4.394124
H 4.650456 1.990093 -3.941286
H 5.907957 0.725728 -3.922592
H 4.253103 0.320422 -4.433947


