%chk=000264056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264056

0 1
S 0.566747 1.009401 -0.095292
O 3.402265 -1.436718 -0.511753
O 3.042324 0.887229 -0.340055
N -2.031956 1.780138 0.278974
N -1.787834 -0.440817 -0.263596
C 2.608247 -0.342787 -0.938733
C 1.200443 -0.659409 -0.451644
C -3.331907 1.231945 0.241006
C -1.152693 0.719917 -0.035044
C -3.162881 -0.158955 -0.098562
C 4.723881 -1.534613 -1.121316
C 3.528475 0.847333 1.029905
C -4.601056 1.789298 0.462270
C -4.288734 -0.993982 -0.214393
C -5.689527 0.938815 0.339866
C -5.535752 -0.431398 0.006825
C 5.232400 -2.891445 -0.676786
C 5.008824 1.189792 0.991092
H 2.701677 -0.129658 -2.024138
H 1.192261 -1.301900 0.451259
H 0.586960 -1.195533 -1.202650
H -1.794023 2.732670 0.480750
H 4.625471 -1.450996 -2.216257
H 5.333456 -0.693662 -0.724986
H 2.932500 1.625058 1.541310
H 3.338391 -0.143578 1.477462
H -4.718810 2.837146 0.716912
H -4.161607 -2.044013 -0.470148
H -6.695513 1.324437 0.502150
H -6.429127 -1.049091 -0.074642
H 6.249309 -3.078073 -1.038241
H 5.237489 -2.972658 0.419238
H 4.584436 -3.699506 -1.043897
H 5.440560 1.224665 1.996344
H 5.569274 0.444009 0.402270
H 5.176530 2.163537 0.513099


%chk=000264056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264056

0 1
S 0.570112 1.089602 2.075918
O 2.948369 -1.674068 0.196653
O 2.900669 0.720668 -0.139924
N -1.972237 1.683315 1.095240
N -1.161535 -0.328503 0.371571
C 2.134568 -0.460691 0.224902
C 1.540302 -0.469591 1.643270
C -2.981775 1.142884 0.275937
C -0.918102 0.761277 1.112244
C -2.455714 -0.118858 -0.168586
C 3.311630 -2.099912 -1.175427
C 4.013614 1.065760 0.773915
C -4.252499 1.612131 -0.107959
C -3.223386 -0.938848 -1.024289
C -5.004728 0.776970 -0.965062
C -4.498866 -0.476249 -1.414866
C 4.193027 -3.340665 -1.047960
C 4.880227 2.093785 0.047188
H 1.332194 -0.497071 -0.534689
H 2.327111 -0.537174 2.411362
H 0.848357 -1.318816 1.737300
H -1.994155 2.578618 1.580012
H 2.381264 -2.321297 -1.740331
H 3.841455 -1.271363 -1.685773
H 3.602769 1.494828 1.711937
H 4.587772 0.150082 1.018729
H -4.649333 2.574010 0.233114
H -2.831885 -1.901544 -1.366660
H -5.999307 1.101406 -1.290106
H -5.115506 -1.092651 -2.078003
H 4.487545 -3.706083 -2.048852
H 5.108847 -3.109756 -0.476464
H 3.653624 -4.149022 -0.524782
H 5.716635 2.419482 0.692855
H 5.298237 1.663765 -0.879568
H 4.281199 2.980176 -0.224247


