%chk=000194285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194285

1 1
S -1.215493 -0.302574 0.925296
O -2.090180 0.561785 1.725965
O -1.791897 -0.624901 -0.390630
N -5.317098 0.342616 -0.760883
N -1.024872 -1.798955 1.723899
N 5.006059 0.429724 -0.733000
C -4.911519 0.060335 0.688903
C -4.630338 -1.415829 0.988028
C -4.266348 -1.573565 2.475674
C -4.362688 -0.288796 -1.743428
C -5.305733 1.844718 -0.969005
C -6.715739 -0.175842 -1.018578
C -3.206230 -2.653191 2.729107
C -1.794640 -2.080709 2.958406
C 0.346929 0.357344 0.837743
C 1.331273 -0.127100 -0.083152
C 2.657358 0.397352 0.000519
C 3.682209 -0.132194 -0.877595
C 0.663107 1.374515 1.727822
C 1.032712 -1.093919 -1.089841
C 2.930566 1.460248 0.906646
C 1.950629 1.944145 1.751113
C 3.349075 -1.074572 -1.833028
C 2.015101 -1.538113 -1.942903
C 5.832882 0.401196 -1.972784
C 5.747355 -0.154012 0.426604
H -3.974268 0.650388 0.930394
H -5.704650 0.450454 1.364431
H -5.497456 -2.056327 0.743632
H -3.787746 -1.777325 0.356283
H -5.180172 -1.807344 3.056201
H -3.897822 -0.604413 2.886394
H -4.458031 -1.387747 -1.770792
H -3.288641 -0.100885 -1.453938
H -4.502261 0.090545 -2.766976
H -4.285188 2.256627 -0.834297
H -5.965773 2.363709 -0.250976
H -5.636624 2.121635 -1.986005
H -7.460477 0.312429 -0.364359
H -7.029577 -0.005386 -2.064485
H -6.780123 -1.264302 -0.830186
H -3.195496 -3.402488 1.915139
H -3.493563 -3.231891 3.633480
H -1.849860 -1.153855 3.577770
H -1.194456 -2.812677 3.553518
H -0.898370 -2.638344 1.143532
H -0.093257 1.758589 2.427346
H 0.010619 -1.456177 -1.223729
H 3.933083 1.907967 0.916023
H 2.164089 2.763741 2.438130
H 4.098492 -1.484316 -2.508808
H 1.781323 -2.270090 -2.720138
H 6.716974 1.043866 -1.811177
H 5.264295 0.841893 -2.808985
H 6.187905 -0.596162 -2.273665
H 5.108828 -0.183382 1.323232
H 6.609899 0.497369 0.651907
H 6.124626 -1.173510 0.245909


%chk=000194285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194285

1 1
S -1.232886 -0.187573 0.609904
O -2.091252 0.741362 1.658398
O -1.849407 -0.356312 -0.907491
N -5.701012 0.348784 -0.636916
N -1.127041 -1.913568 1.243493
N 5.309147 0.172367 -0.593163
C -5.105131 0.020148 0.763054
C -4.650858 -1.431603 0.978239
C -4.220456 -1.599011 2.468548
C -4.850051 -0.250345 -1.759031
C -5.712325 1.868027 -0.789342
C -7.126958 -0.177743 -0.738658
C -3.135391 -2.683250 2.705410
C -1.663005 -2.202291 2.599405
C 0.543807 0.449084 0.625634
C 1.529462 -0.120654 -0.246495
C 2.887670 0.379905 -0.054687
C 3.974237 -0.200468 -0.838808
C 0.762568 1.479957 1.534290
C 1.257240 -1.070749 -1.277530
C 3.102830 1.480604 0.833539
C 2.073774 2.029584 1.605740
C 3.643910 -1.097739 -1.879479
C 2.304087 -1.511214 -2.094096
C 6.312550 -0.017693 -1.654868
C 5.886279 0.119795 0.771208
H -4.228507 0.679077 0.899520
H -5.886708 0.307155 1.490679
H -5.446742 -2.164960 0.742725
H -3.796786 -1.641912 0.310743
H -5.117769 -1.838271 3.070178
H -3.829802 -0.634410 2.844102
H -5.002180 -1.339432 -1.779711
H -3.783877 -0.035521 -1.568228
H -5.180832 0.188500 -2.713666
H -4.672679 2.225844 -0.828966
H -6.227343 2.313193 0.075915
H -6.238413 2.136344 -1.718830
H -7.760650 0.347603 -0.007443
H -7.505503 -0.000602 -1.757298
H -7.129269 -1.256761 -0.526017
H -3.295785 -3.550446 2.032326
H -3.250756 -3.076976 3.734448
H -1.520118 -1.295874 3.217602
H -0.996648 -2.982565 3.015928
H -1.476625 -2.516229 0.479338
H -0.056446 1.864291 2.149763
H 0.234160 -1.407058 -1.462251
H 4.096838 1.933242 0.874099
H 2.265178 2.883415 2.261761
H 4.433422 -1.522772 -2.504684
H 2.095735 -2.219590 -2.903344
H 7.191160 0.611180 -1.428637
H 5.907164 0.301251 -2.629172
H 6.662044 -1.070834 -1.738655
H 5.100055 -0.024627 1.526465
H 6.444330 1.045368 1.008265
H 6.590367 -0.734730 0.852455


