%chk=000271036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271036

0 1
S 5.480212 0.715076 0.315191
O -3.292289 0.297628 2.110585
O 6.182612 1.803928 -0.331425
O 5.962854 0.179429 1.555694
N -4.492006 0.718708 0.120889
N -4.352674 1.556539 -0.985001
N -1.193999 1.486576 0.214252
N -0.264312 2.144520 0.711864
N 5.627254 -0.512196 -0.933151
N 5.376538 -2.691846 -1.856014
N 4.143389 -2.007238 0.155748
C -2.550507 2.021088 0.473114
C -3.278688 2.301716 -0.850363
C -3.424554 0.880014 1.071032
C -5.580856 -0.226638 0.157056
C -2.807035 3.301767 -1.824490
C 3.806351 1.081224 0.399991
C 1.099052 1.698557 0.540113
C -5.706662 -1.081566 1.266221
C -6.507040 -0.280229 -0.901545
C 3.261564 2.036508 -0.469626
C 2.993474 0.439880 1.342451
C 1.905973 2.352492 -0.409977
C 1.631266 0.741463 1.417281
C -6.767823 -1.988611 1.306139
C -7.558480 -1.194989 -0.837876
C -7.694157 -2.050101 0.261232
C 5.042269 -1.769650 -0.872916
C 4.782228 -3.904676 -1.775593
C 3.578105 -3.240676 0.194189
C 3.870422 -4.228975 -0.755659
H -2.600471 2.915336 1.151244
H -2.611600 4.276235 -1.350841
H -3.540462 3.470358 -2.632994
H -1.870503 2.971789 -2.306328
H -4.990564 -1.047158 2.091446
H -6.407740 0.382543 -1.762238
H 3.905020 2.546833 -1.197915
H 3.423571 -0.308658 2.023693
H 1.480238 3.096362 -1.081008
H 0.993753 0.239891 2.146054
H -6.869516 -2.653325 2.164324
H -8.279033 -1.241071 -1.654472
H 6.288736 -0.362693 -1.717384
H -8.517369 -2.759907 0.301806
H 5.054411 -4.628123 -2.556254
H 2.872701 -3.420212 1.016282
H 3.411447 -5.210323 -0.705917


%chk=000271036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271036

0 1
S 5.093190 -0.121344 1.589033
O -3.591147 1.714684 1.956871
O 5.896116 1.136586 2.232087
O 4.989388 -1.540329 2.355929
N -4.776159 0.789796 0.090499
N -4.553672 0.630103 -1.321076
N -1.382460 1.073959 -0.122286
N -0.451801 1.937565 0.158176
N 5.978310 -0.288563 -0.031031
N 6.845471 -1.549758 -1.792342
N 4.645193 -2.069265 -0.837220
C -2.678019 1.741020 -0.394605
C -3.375595 1.145842 -1.609490
C -3.703914 1.430255 0.740728
C -6.006262 0.308904 0.641879
C -2.805050 1.117884 -2.991269
C 3.366292 0.460098 1.097214
C 0.828010 1.351057 0.474194
C -6.266415 0.422484 2.033287
C -6.964309 -0.284055 -0.221021
C 3.165539 1.846497 1.018434
C 2.363663 -0.506032 0.898693
C 1.865600 2.291145 0.698548
C 1.071815 -0.047000 0.584288
C -7.488558 -0.061686 2.546226
C -8.178277 -0.761536 0.313030
C -8.450201 -0.654501 1.696876
C 5.812810 -1.352508 -0.907533
C 6.668036 -2.554564 -2.694519
C 4.520923 -3.081803 -1.740658
C 5.511426 -3.369421 -2.707179
H -2.548876 2.841028 -0.469066
H -2.584316 2.139813 -3.352942
H -3.508583 0.636952 -3.689100
H -1.850579 0.558387 -3.000519
H -5.527084 0.880494 2.693317
H -6.746289 -0.364141 -1.287982
H 3.985227 2.542466 1.220580
H 2.602485 -1.569301 0.983685
H 1.631574 3.357305 0.624245
H 0.245704 -0.745676 0.425023
H -7.685311 0.027628 3.620246
H -8.914040 -1.219230 -0.357447
H 6.888023 0.190185 -0.018935
H -9.395485 -1.026964 2.105661
H 7.484689 -2.705773 -3.408719
H 3.597162 -3.667473 -1.680075
H 5.390858 -4.183615 -3.424832


