%chk=000268687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268687

0 1
S 0.665995 -2.202671 0.089625
O -1.464551 0.858816 -0.844359
O -1.585799 -3.640474 0.252872
O 2.981720 2.219580 0.652151
O -6.373501 0.690348 0.331209
N -1.777004 -1.381992 -0.347000
N -4.096875 0.811470 0.429299
C -3.260723 -1.357383 -0.491014
C -3.947074 -0.636303 0.685031
C -0.974681 -0.212183 -0.557284
C 0.460656 -0.522796 -0.373533
C -1.104567 -2.572299 0.025305
C 1.446048 0.376343 -0.507962
C 2.874091 0.121142 -0.357705
C 3.689935 1.112153 0.255484
C 3.500823 -1.046726 -0.819559
C -5.363239 1.362479 0.199396
C 5.068523 0.931799 0.426198
C 4.876025 -1.231808 -0.661354
C 5.651599 -0.249909 -0.035529
C -5.363633 2.822056 -0.158772
C 3.704755 3.309279 1.279185
H -3.515254 -0.867419 -1.460039
H -3.621898 -2.412037 -0.552911
H -4.959832 -1.085426 0.857202
H -3.375556 -0.779131 1.630155
H 1.185771 1.429677 -0.733082
H -3.240630 1.311091 0.174916
H 2.913707 -1.812857 -1.333546
H 5.681544 1.688201 0.906024
H 5.344291 -2.144428 -1.026107
H 6.724508 -0.405083 0.091342
H -6.399016 3.172899 -0.297959
H -4.915424 3.441623 0.629345
H -4.822573 3.023905 -1.092285
H 4.443953 3.723271 0.587675
H 4.157855 2.972835 2.216279
H 2.895936 4.028457 1.469707


%chk=000268687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268687

0 1
S 0.568715 -2.599587 -0.479788
O -1.390413 0.850153 -0.494083
O -1.879890 -3.810828 -0.927017
O 2.947768 2.390897 0.129941
O -6.379452 0.808929 0.856346
N -1.844323 -1.447320 -0.748595
N -4.111661 0.687112 0.340703
C -3.303740 -1.278733 -0.999642
C -4.113113 -0.775113 0.216817
C -0.975564 -0.347244 -0.538407
C 0.433282 -0.779934 -0.376210
C -1.277906 -2.735524 -0.758461
C 1.427891 0.147141 -0.177380
C 2.861572 -0.007354 0.012427
C 3.653539 1.187157 0.177267
C 3.546174 -1.257853 0.052250
C -5.264982 1.386368 0.650490
C 5.052005 1.113424 0.371301
C 4.937972 -1.333640 0.244835
C 5.688975 -0.145961 0.404311
C -5.107716 2.902900 0.728551
C 3.690574 3.646749 0.283659
H -3.431934 -0.584778 -1.849536
H -3.665805 -2.277703 -1.293987
H -5.170836 -1.077217 0.106597
H -3.733843 -1.262364 1.137934
H 1.062461 1.183200 -0.162187
H -3.224260 1.167646 0.146798
H 2.982593 -2.187637 -0.066088
H 5.647016 2.021982 0.496476
H 5.434765 -2.308169 0.271545
H 6.772795 -0.197126 0.554984
H -5.832618 3.375345 0.043651
H -5.357905 3.238788 1.750133
H -4.091181 3.250369 0.476487
H 4.441102 3.766590 -0.520445
H 4.184091 3.699713 1.272507
H 2.929755 4.436122 0.204217


