%chk=000211441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211441

0 1
S -5.857434 -0.577265 0.181993
O -6.867286 -0.749704 -1.165674
O -6.692901 -0.008161 1.202430
O -5.244409 -1.859403 0.383752
N -1.044512 1.275653 0.052765
N 1.855293 1.182085 0.188940
C -0.284467 0.044415 -0.345307
C -0.210505 2.492292 -0.222907
C 1.023748 -0.035966 0.464716
C 1.094341 2.410490 0.595277
C -2.359380 1.357330 -0.663737
C 3.163582 1.117547 0.923863
C -3.359086 0.437946 0.065107
C -4.766254 0.592320 -0.511194
C 4.020815 -0.004578 0.386932
C 4.648580 -0.891595 1.273343
C 4.218361 -0.146856 -0.995293
C 5.471047 -1.908572 0.778938
C 5.037914 -1.166525 -1.483623
C 5.667599 -2.048132 -0.597979
H -0.911310 -0.844164 -0.115251
H -0.052310 0.014233 -1.432553
H 0.033507 2.613507 -1.301043
H -0.782871 3.389436 0.095409
H 0.790494 -0.164670 1.544029
H 1.601357 -0.930410 0.142094
H 1.720128 3.300655 0.372661
H 0.854651 2.432874 1.681110
H -2.293322 1.084239 -1.738333
H -2.727382 2.405909 -0.626072
H 3.036425 1.025726 2.025535
H 3.699981 2.080958 0.749717
H -3.345263 0.682887 1.149877
H -3.018493 -0.619000 -0.007545
H -4.737694 0.496804 -1.621935
H -5.130016 1.632105 -0.350125
H 4.499840 -0.793641 2.346352
H 3.716692 0.537614 -1.680783
H 5.958337 -2.593953 1.470092
H 5.187519 -1.275022 -2.556368
H 6.307565 -2.840122 -0.980293
H -7.681583 -1.253086 -1.045220


%chk=000211441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211441

0 1
S -6.019641 -0.633446 0.090887
O -7.210366 -0.415934 -1.333045
O -6.703789 -0.082854 1.450608
O -5.396741 -2.126424 0.065516
N -1.041119 1.292507 0.049528
N 1.846579 1.125484 0.286668
C -0.313415 0.033690 -0.256932
C -0.173014 2.467345 -0.225679
C 0.984373 -0.050669 0.560460
C 1.122137 2.379939 0.597616
C -2.353134 1.389716 -0.624767
C 3.159307 1.047173 0.969700
C -3.402736 0.455854 0.035561
C -4.761528 0.634598 -0.636342
C 4.069515 -0.042219 0.409495
C 4.932656 -0.765594 1.268487
C 4.105030 -0.311464 -0.982199
C 5.824323 -1.732849 0.749774
C 4.990042 -1.281165 -1.502802
C 5.856079 -1.993700 -0.639316
H -0.949987 -0.831699 -0.001697
H -0.061838 -0.029932 -1.345995
H 0.095901 2.534487 -1.310126
H -0.722560 3.386265 0.052067
H 0.723758 -0.116432 1.646959
H 1.535573 -0.966922 0.284458
H 1.772426 3.239316 0.347243
H 0.858346 2.447373 1.683514
H -2.284572 1.157360 -1.719804
H -2.700211 2.437712 -0.537863
H 3.048430 0.899048 2.074753
H 3.651862 2.032007 0.834183
H -3.455430 0.698943 1.111733
H -3.085318 -0.598755 -0.056938
H -4.769178 0.388908 -1.710309
H -5.255675 1.600000 -0.444369
H 4.906593 -0.572644 2.348714
H 3.423387 0.242483 -1.637452
H 6.486353 -2.284224 1.427259
H 5.007037 -1.481654 -2.580455
H 6.543367 -2.745441 -1.043723
H -8.041523 -0.929985 -1.121671


