%chk=000210053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210053

0 1
S 2.790374 -0.371396 2.477186
O 1.165729 0.359802 -2.207839
N -3.028321 -0.694814 -0.008486
N -5.581367 0.534488 -0.612138
N -0.317013 -0.465272 -0.694074
N 0.226780 -0.879914 1.612218
C -4.259821 -1.526987 -0.213371
C -3.399888 0.643755 0.561173
C -5.203262 -0.796998 -1.190841
C -4.347495 1.365543 -0.416374
C 3.329427 0.368522 0.050748
C 4.069217 0.842937 -1.154195
C 5.386491 1.529853 -0.757093
C -2.047874 -1.395936 0.877552
C 6.145733 0.730941 0.314375
C 3.915802 0.236754 1.277869
C 5.318616 0.575758 1.608363
C 1.936741 -0.020433 0.054208
C -0.649727 -0.878262 0.598458
C 1.500114 -0.450409 1.310941
C 1.012334 0.009039 -1.056234
C -6.547682 1.237181 -1.507233
H -4.798734 -1.737426 0.736960
H -3.959065 -2.501714 -0.652942
H -2.471647 1.241413 0.688515
H -3.882919 0.565470 1.560523
H -4.721442 -0.716917 -2.189689
H -6.130047 -1.396705 -1.318158
H -4.650954 2.340110 0.023265
H -3.814072 1.584661 -1.366964
H 4.266612 -0.023285 -1.822634
H 3.432496 1.527507 -1.755912
H -2.268133 -1.298322 1.969302
H -2.052689 -2.493176 0.665608
H 6.022851 1.660969 -1.651689
H 5.171406 2.548199 -0.378300
H 7.106948 1.225114 0.544554
H 6.397633 -0.272002 -0.082224
H 5.349165 1.522886 2.190314
H 5.781176 -0.196983 2.255821
H -7.461857 0.628025 -1.596216
H -6.174929 1.453059 -2.519325
H -6.843672 2.188998 -1.036514
H -1.049736 -0.450636 -1.420702


%chk=000210053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210053

0 1
S 2.913153 -0.592751 2.531766
O 0.986764 0.620968 -2.057386
N -3.046942 -0.694085 0.129336
N -5.515599 0.506893 -0.783036
N -0.411375 -0.329422 -0.432630
N 0.256252 -0.953644 1.772712
C -4.240583 -1.528342 -0.174211
C -3.456766 0.665601 0.583593
C -5.105574 -0.839766 -1.242614
C -4.328221 1.341206 -0.486704
C 3.285801 0.385641 0.062268
C 3.973626 0.995585 -1.146232
C 5.341069 1.611812 -0.763249
C -2.092190 -1.340129 1.058603
C 6.162631 0.656089 0.134739
C 3.976170 0.126999 1.237109
C 5.439059 0.393865 1.484001
C 1.888995 0.013701 0.145029
C -0.673395 -0.842281 0.823252
C 1.511541 -0.525798 1.398653
C 0.859980 0.149272 -0.886140
C -6.451536 1.163933 -1.715736
H -4.861887 -1.694643 0.737814
H -3.899944 -2.511270 -0.549267
H -2.549275 1.271077 0.763434
H -4.030484 0.606743 1.538785
H -4.525430 -0.791356 -2.200436
H -6.012658 -1.445857 -1.424183
H -4.667856 2.325131 -0.113664
H -3.706334 1.517447 -1.402574
H 4.111642 0.211991 -1.918411
H 3.310699 1.746900 -1.610289
H -2.334339 -1.190318 2.133726
H -2.108368 -2.432642 0.876750
H 5.908334 1.855136 -1.681149
H 5.177987 2.565335 -0.221555
H 7.166508 1.075835 0.333666
H 6.308198 -0.305732 -0.395372
H 5.556879 1.274546 2.149282
H 5.912173 -0.458461 2.009382
H -7.348959 0.533332 -1.847759
H -6.010046 1.354706 -2.726491
H -6.774821 2.133189 -1.295763
H -1.231579 -0.273042 -1.060244


