%chk=000248733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248733

0 1
S -0.316649 -0.466183 0.674783
S -2.757993 1.147466 -0.049265
S 2.672319 0.826095 0.004935
F -2.067094 -3.485845 -0.361638
F -5.314196 0.806779 -2.607115
F 4.527720 -0.656962 -1.626987
N 1.294539 2.935927 -0.857759
N 0.248261 3.644936 -1.124652
C -0.075466 1.103437 -0.072704
C 0.080578 -1.621651 -0.690216
C -1.207371 1.877234 -0.368600
C 0.209057 -2.942230 -0.017759
C -3.982621 2.376981 -0.623388
C 1.181479 1.667288 -0.327528
C -5.282706 1.682628 -0.410906
C 3.966192 1.934597 -0.651023
C 5.233500 1.209131 -0.371258
C -0.873750 -3.827948 0.127002
C 1.444665 -3.350831 0.514679
C -1.012634 3.166270 -0.897558
C -5.900803 0.914117 -1.413806
C -5.940491 1.765177 0.828826
C 5.474047 -0.078216 -0.885940
C 6.242177 1.784363 0.417435
C -0.766450 -5.069398 0.760251
C 1.576580 -4.586647 1.152316
C -7.117052 0.251422 -1.227712
C -7.156865 1.111159 1.038767
C 6.655541 -0.785433 -0.654202
C 7.434975 1.097189 0.661728
C 0.476833 -5.443445 1.275652
C -7.743795 0.356859 0.016284
C 7.642322 -0.179872 0.129241
H -0.718206 -1.590928 -1.456975
H 1.017606 -1.320387 -1.201764
H -3.808574 2.654576 -1.681287
H -3.909846 3.311257 -0.032869
H 3.810789 2.119461 -1.735763
H 3.909785 2.931740 -0.167436
H 2.309304 -2.688886 0.431361
H -1.831351 3.842228 -1.154169
H -5.491860 2.343187 1.638280
H 6.093213 2.777613 0.842820
H -1.629329 -5.727355 0.852281
H 2.542576 -4.883191 1.558520
H -7.563401 -0.335870 -2.029571
H -7.649805 1.186558 2.007369
H 6.806363 -1.780112 -1.071263
H 8.207947 1.560866 1.273553
H 0.588004 -6.405183 1.775547
H -8.692006 -0.152147 0.189272
H 8.575539 -0.707519 0.325411


%chk=000248733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248733

0 1
S -0.355578 -0.587414 1.076427
S -2.996603 1.056045 0.143682
S 2.574051 0.620160 0.277875
F -1.831957 -4.041743 0.023839
F -5.597417 0.955772 -2.696869
F 5.014857 -0.271687 -2.378390
N 1.232801 2.688295 -0.912839
N 0.120428 3.403044 -1.284850
C -0.207627 0.976072 0.126663
C -0.029879 -1.841690 -0.379916
C -1.349433 1.713888 -0.264292
C 0.422330 -3.157902 0.183820
C -4.142327 2.369901 -0.680036
C 1.064221 1.514211 -0.219977
C -5.569447 1.936076 -0.480121
C 3.893058 1.699621 -0.624354
C 5.246477 1.089507 -0.384593
C -0.476800 -4.230721 0.376777
C 1.776335 -3.386294 0.547878
C -1.121118 2.934787 -0.968059
C -6.269842 1.233471 -1.486450
C -6.277183 2.203619 0.720889
C 5.785742 0.120649 -1.261525
C 6.051988 1.456851 0.725225
C -0.098799 -5.481049 0.891879
C 2.192403 -4.629515 1.069489
C -7.599872 0.804899 -1.355722
C -7.614871 1.785491 0.889997
C 7.047662 -0.470474 -1.092184
C 7.325345 0.882087 0.931271
C 1.255764 -5.677330 1.242101
C -8.276208 1.085941 -0.147409
C 7.824058 -0.081572 0.022884
H -0.976616 -1.915444 -0.931924
H 0.753494 -1.370922 -0.992938
H -3.878764 2.414946 -1.747401
H -3.941094 3.334001 -0.186512
H 3.604887 1.714374 -1.684407
H 3.799517 2.713689 -0.211680
H 2.495179 -2.569079 0.418683
H -1.935660 3.577594 -1.308080
H -5.764019 2.741356 1.526284
H 5.665792 2.203029 1.428830
H -0.847811 -6.269194 1.010816
H 3.241772 -4.782728 1.341066
H -8.081527 0.268071 -2.177854
H -8.139953 2.003190 1.825389
H 7.403309 -1.209458 -1.815974
H 7.927118 1.185159 1.794080
H 1.575014 -6.643375 1.646857
H -9.313547 0.760004 -0.019996
H 8.811948 -0.527905 0.176849


