%chk=000256693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256693

0 1
S -0.772091 -0.911971 -0.350099
O -0.185082 -2.235896 -0.498073
O -0.287951 0.121928 -1.257860
O 5.389463 -0.904730 1.492469
N -0.497884 -0.429955 1.279789
N 4.636010 -0.242435 -2.433833
N 6.115389 -0.134096 -0.534338
N 6.906369 0.503579 -2.696706
C 0.711780 -0.982990 1.961499
C 2.037656 -0.496185 1.357119
C 2.765608 -1.608390 0.584543
C 3.821318 -1.037089 -0.313087
C -0.917520 0.879476 1.718057
C -2.484360 -1.001666 -0.443795
C 3.602238 -0.809671 -1.640431
C -1.486478 0.988227 3.002136
C -0.804898 2.013947 0.896440
C -3.230452 0.113363 -0.845268
C -3.138230 -2.198672 -0.126440
C 5.120989 -0.722009 0.325708
C 2.335035 -1.087277 -2.361360
C -5.280214 -1.161661 -0.599280
C -4.620086 0.037302 -0.923663
C -4.527838 -2.281711 -0.202855
C -1.944738 2.227888 3.448831
C -1.274862 3.245539 1.358185
C 5.882592 0.050998 -1.815797
C -1.844554 3.358075 2.629687
C -6.765841 -1.249673 -0.693449
H 0.664241 -0.713603 3.040221
H 0.634207 -2.095960 1.916162
H 1.876923 0.382200 0.700609
H 2.707670 -0.122494 2.159725
H 2.037843 -2.218444 0.000012
H 3.239258 -2.312303 1.304251
H -1.572370 0.107253 3.635866
H -0.338295 1.947309 -0.093084
H -2.722017 1.049462 -1.104432
H -2.556992 -3.077760 0.175613
H 4.510904 -0.155240 -3.439253
H 2.448337 -1.290903 -3.430448
H 1.616471 -0.243105 -2.252496
H 1.799641 -1.956575 -1.921268
H -5.193844 0.907869 -1.236430
H -5.029385 -3.215890 0.043637
H -2.384430 2.314483 4.442056
H -1.186131 4.125952 0.721935
H -2.203816 4.321485 2.984235
H -7.191703 -1.977589 0.011600
H -7.259061 -0.287517 -0.495084
H -7.073260 -1.564973 -1.703582
H 7.797101 0.666309 -2.219972
H 6.661637 1.294394 -3.282098


%chk=000256693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256693

0 1
S -1.020042 -1.588443 -0.253442
O -0.632327 -3.156295 -0.053747
O -0.490976 -0.799373 -1.597460
O 5.079248 -1.550034 1.443490
N -0.548446 -0.781166 1.385872
N 5.037136 0.334616 -2.159932
N 6.239924 -0.380693 -0.217255
N 7.354730 0.780359 -1.914446
C 0.734982 -1.300882 1.963214
C 2.058196 -0.734637 1.399556
C 2.556804 -1.478988 0.127519
C 3.792615 -0.843753 -0.474531
C -0.839695 0.633072 1.471114
C -2.888177 -1.392726 -0.200593
C 3.811672 -0.204912 -1.699786
C -1.563831 1.058257 2.615944
C -0.436273 1.587251 0.498770
C -3.480028 -0.385205 -0.976283
C -3.618976 -2.295077 0.588929
C 5.057571 -0.954248 0.319471
C 2.661377 -0.015175 -2.662790
C -5.676451 -1.152218 -0.153468
C -4.887796 -0.271817 -0.939717
C -5.023908 -2.161867 0.604945
C -1.859662 2.425338 2.801359
C -0.762876 2.950390 0.678595
C 6.197631 0.223243 -1.396785
C -1.464543 3.375587 1.829903
C -7.190115 -1.041594 -0.148956
H 0.650696 -1.065574 3.042256
H 0.702741 -2.401922 1.864066
H 1.947679 0.348485 1.199903
H 2.842902 -0.838970 2.171127
H 1.750545 -1.550042 -0.620651
H 2.812948 -2.512663 0.429365
H -1.887302 0.304868 3.341755
H 0.107274 1.257098 -0.391469
H -2.860655 0.273581 -1.592715
H -3.107860 -3.078557 1.156988
H 5.046416 0.803693 -3.067113
H 2.573577 1.047318 -2.965654
H 1.696294 -0.321552 -2.233158
H 2.818378 -0.612665 -3.582505
H -5.377722 0.509651 -1.531616
H -5.621256 -2.851378 1.212473
H -2.410038 2.745926 3.692851
H -0.457040 3.682487 -0.077348
H -1.703962 4.435649 1.968789
H -7.617338 -1.354272 0.819669
H -7.523053 -0.009630 -0.354296
H -7.633246 -1.691923 -0.927892
H 8.190658 0.682409 -1.343332
H 7.405896 1.247579 -2.815082


