%chk=000210927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210927

0 1
S 0.111105 0.923943 1.076185
O 1.365458 1.514110 0.622152
O -0.590703 1.527076 2.182726
O -6.230299 -0.599549 -0.590451
O 3.148808 -2.401487 0.398216
N -0.866085 0.915556 -0.324106
N 2.829831 -0.490440 1.612004
N 5.176306 1.475544 -1.420664
C 0.349071 -0.776069 1.421545
C 1.611610 -1.014196 2.264545
C -2.258416 0.575432 -0.326409
C -3.074547 0.777160 0.795232
C -2.796098 0.007865 -1.506505
C 3.433270 -1.228277 0.580314
C -4.936720 -0.173509 -0.406429
C -4.418677 0.392071 0.763455
C -4.130219 -0.364508 -1.551507
C 4.467494 -0.493760 -0.204266
C -7.179584 -0.416190 0.509805
C 5.666477 -1.144840 -0.527765
C 4.253800 0.818490 -0.675852
C 6.622283 -0.469525 -1.289637
C -8.471617 -0.968723 -0.058431
C 6.341532 0.839094 -1.715574
H -0.527500 -1.219231 1.941999
H 0.423789 -1.390462 0.491899
H 1.515686 -0.544665 3.270427
H 1.734691 -2.116112 2.425777
H -0.530582 1.369384 -1.183347
H 2.948101 0.532881 1.637537
H -2.681125 1.251293 1.703492
H -2.161608 -0.138364 -2.380245
H -5.035724 0.549780 1.642847
H -4.571859 -0.801215 -2.445933
H -6.816271 -0.986497 1.381552
H -7.239961 0.660573 0.743284
H 5.838936 -2.169638 -0.188562
H 3.316373 1.367633 -0.462528
H 7.563132 -0.947160 -1.552697
H -9.290048 -0.898888 0.666809
H -8.772180 -0.425917 -0.965983
H -8.361043 -2.023116 -0.348933
H 7.060112 1.410755 -2.315877


%chk=000210927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210927

0 1
S -0.172642 -0.875292 0.501621
O 0.839658 0.345180 0.984480
O -1.039094 -1.681734 1.628439
O -6.893650 -0.247873 0.420972
O 4.915508 -2.397641 -0.442776
N -1.476199 -0.325217 -1.108220
N 3.086128 -1.280875 0.461001
N 5.330029 2.393989 0.358226
C 0.942447 -2.183786 -0.420121
C 2.211659 -2.455321 0.392655
C -2.813123 -0.234171 -0.680755
C -3.469058 1.008974 -0.421894
C -3.556843 -1.447493 -0.521632
C 4.390474 -1.326632 0.009541
C -5.551831 -0.165462 0.066858
C -4.828785 1.053133 -0.077030
C -4.903772 -1.413952 -0.152322
C 5.174036 -0.039635 0.076485
C -7.636165 1.008093 0.692149
C 6.572491 -0.109932 -0.146684
C 4.602216 1.238812 0.316860
C 7.337755 1.072192 -0.103315
C -9.059548 0.605117 1.062512
C 6.677763 2.296629 0.155935
H 0.272074 -3.053357 -0.499842
H 1.140706 -1.726442 -1.401032
H 1.945884 -2.810401 1.407531
H 2.790694 -3.258730 -0.103139
H -1.071147 0.620648 -1.285382
H 2.650536 -0.425097 0.834243
H -2.900898 1.943881 -0.506570
H -3.051901 -2.400419 -0.703772
H -5.311098 2.019422 0.092709
H -5.484619 -2.331760 -0.024639
H -7.137974 1.549548 1.520994
H -7.616965 1.642953 -0.216543
H 7.016318 -1.089281 -0.352444
H 3.523601 1.373525 0.468439
H 8.419743 1.053534 -0.266487
H -9.662595 1.506541 1.274088
H -9.536833 0.051492 0.236430
H -9.063112 -0.036087 1.959919
H 7.235133 3.239226 0.202615


