%chk=000279496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279496

0 1
S 0.329639 1.292163 1.457348
O 0.517983 2.711732 1.687425
O 0.163312 0.365912 2.572106
O -2.651052 1.561032 -1.633636
O 3.251135 -3.326153 0.915298
N 2.122991 1.290852 -0.627923
N -1.082945 1.279354 0.486859
N 3.196253 -0.695432 -0.376941
N 2.017211 -1.497276 1.657852
C 1.554366 0.663591 0.493759
C 2.250858 -0.575626 0.630725
C -1.706589 0.118795 -0.034945
C 3.093975 0.449365 -1.128968
C 1.724466 2.604544 -1.135354
C -2.558387 0.253844 -1.178239
C -1.528680 -1.154957 0.512278
C -3.185482 -0.847676 -1.748468
C -2.154041 -2.266431 -0.073037
C -2.970705 -2.118134 -1.189828
C 2.561388 -2.813686 1.757857
C -3.723925 1.861208 -2.557903
H -1.557028 2.165311 0.249441
H 3.706902 0.654461 -1.998469
H 1.565136 3.324005 -0.296686
H 2.498922 3.029868 -1.796125
H 0.776142 2.538765 -1.705645
H -0.927506 -1.293159 1.414095
H 1.373216 -1.161971 2.413136
H -3.827219 -0.743527 -2.618327
H -1.996993 -3.252419 0.362401
H -3.451287 -2.985889 -1.637967
H 2.250333 -3.290675 2.704748
H -4.690823 1.581883 -2.129158
H -3.544341 1.362918 -3.515032
H -3.637424 2.950506 -2.658376


%chk=000279496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279496

0 1
S 0.261715 1.300326 1.766433
O 0.568750 2.848855 2.180468
O 0.418412 0.063572 2.837278
O -2.009270 1.370464 -1.510918
O 3.133972 -3.283075 -0.015100
N 1.650761 1.568676 -0.727438
N -1.707608 1.272520 1.245295
N 2.704848 -0.436736 -1.001401
N 1.978485 -1.530712 1.105730
C 1.341563 0.769083 0.389710
C 2.002428 -0.471044 0.200628
C -2.057825 0.111368 0.522742
C 2.468377 0.790773 -1.523480
C 1.186432 2.940736 -0.993305
C -2.246306 0.127247 -0.902283
C -2.250967 -1.107559 1.228824
C -2.657261 -1.037769 -1.583035
C -2.632102 -2.277168 0.543914
C -2.839743 -2.237437 -0.855863
C 2.522695 -2.814411 0.972565
C -2.293578 1.491685 -2.947485
H -1.760722 2.130048 0.656899
H 2.882094 1.148772 -2.463646
H 1.345286 3.571432 -0.103770
H 1.761266 3.346167 -1.840576
H 0.112003 2.936808 -1.249705
H -2.104976 -1.096958 2.312969
H 1.469588 -1.301183 1.980034
H -2.817422 -1.033587 -2.665068
H -2.778915 -3.211180 1.094626
H -3.145683 -3.143455 -1.389738
H 2.330600 -3.398984 1.903087
H -3.353972 1.259923 -3.158151
H -1.636658 0.827253 -3.539456
H -2.086465 2.542647 -3.196482


