%chk=000256566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256566

0 1
S 0.795522 3.216162 -0.068544
O 3.786694 -1.315150 1.936130
O 5.892556 -0.957770 -0.076858
N -2.695086 -0.451904 -1.494881
N -0.170900 1.042422 -1.174840
C -2.495922 0.911992 -2.056171
C -1.397353 -1.128077 -1.159741
C -1.476051 1.758468 -1.277073
C -0.164881 -0.359577 -1.671488
C -3.732174 -0.628579 -0.516508
C 0.895590 1.645959 -0.604481
C -4.654258 0.391763 -0.215942
C -3.893941 -1.903548 0.072775
C 2.182767 0.926749 -0.463798
C -5.724224 0.145245 0.655576
C -4.961201 -2.131841 0.939895
C -5.876694 -1.120584 1.240381
C 2.385846 0.078901 0.634592
C 3.201137 1.137329 -1.405742
C -6.691255 1.244059 0.959441
C 3.624823 -0.552482 0.788534
C 4.441978 0.517416 -1.245806
C 4.661463 -0.319011 -0.145108
C 4.141222 -2.704294 1.689835
C 6.684171 -0.580432 1.085990
H -3.468498 1.455817 -2.106889
H -2.173459 0.779073 -3.115829
H -1.425643 -2.132359 -1.644564
H -1.297752 -1.292715 -0.061601
H -1.322638 2.746248 -1.777915
H -1.848533 1.985750 -0.247364
H 0.761088 -0.889230 -1.349711
H -0.146678 -0.343592 -2.787260
H -4.549971 1.379642 -0.659063
H -3.215952 -2.717479 -0.162251
H -5.083534 -3.118103 1.389139
H -6.700178 -1.316292 1.920291
H 1.608448 -0.077642 1.383540
H 3.033866 1.808288 -2.249767
H -6.184978 2.102897 1.423728
H -7.180219 1.609811 0.045269
H -7.487984 0.931543 1.646941
H 5.250387 0.682225 -1.958443
H 5.015276 -2.777705 1.032500
H 3.278394 -3.222300 1.263752
H 4.364106 -3.066245 2.699700
H 6.116470 -0.739248 2.009862
H 6.992894 0.463984 0.985061
H 7.540462 -1.258883 1.012207


%chk=000256566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256566

0 1
S 1.496643 3.609605 -1.102341
O 3.744226 -1.541309 1.553616
O 6.065507 -1.205237 -0.211427
N -2.511079 0.175677 -0.409291
N 0.044104 1.314783 -1.103255
C -2.459302 1.354294 -1.289062
C -1.273588 -0.620758 -0.288352
C -1.168154 2.175328 -1.091687
C -0.225632 -0.129105 -1.300969
C -3.716798 -0.313138 0.128959
C 1.288744 1.897945 -1.041901
C -4.985336 0.219795 -0.250619
C -3.695945 -1.376348 1.085560
C 2.490032 1.021286 -0.857112
C -6.192675 -0.263045 0.308445
C -4.898556 -1.859981 1.634414
C -6.146626 -1.312376 1.259887
C 2.561615 0.091635 0.215088
C 3.616091 1.170959 -1.707786
C -7.521552 0.336578 -0.125473
C 3.729322 -0.664941 0.442356
C 4.785329 0.417995 -1.483641
C 4.864997 -0.484348 -0.399663
C 3.941367 -2.970588 1.214205
C 6.765184 -0.918705 1.065374
H -3.296186 2.028360 -1.040252
H -2.579218 1.076960 -2.360522
H -1.487644 -1.691078 -0.491556
H -0.850584 -0.557559 0.737811
H -1.077465 2.944607 -1.882882
H -1.191295 2.719933 -0.128786
H 0.705587 -0.700376 -1.190952
H -0.596832 -0.288929 -2.333398
H -5.049679 1.005815 -1.011360
H -2.746959 -1.805347 1.420131
H -4.858996 -2.670502 2.371732
H -7.074881 -1.696522 1.697066
H 1.727682 -0.034450 0.914296
H 3.573464 1.904338 -2.518561
H -7.575994 1.414811 0.117103
H -7.670516 0.240384 -1.217686
H -8.368852 -0.163198 0.374387
H 5.665507 0.532138 -2.124195
H 4.876388 -3.118984 0.644989
H 3.081746 -3.342332 0.624181
H 3.987414 -3.496164 2.179974
H 6.110203 -1.122910 1.931294
H 7.093878 0.137200 1.085273
H 7.640521 -1.585499 1.074086


