%chk=000201339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201339

0 1
S 1.060729 2.753433 -0.834564
O -0.766619 -0.790640 0.171253
O 2.419083 3.142870 -0.488745
O 0.797808 2.220553 -2.155041
N 4.773014 -0.775521 0.905087
C -2.859962 -1.382162 -0.718877
C -3.728929 -1.398556 0.544149
C 1.261115 0.375229 0.425406
C 0.463456 1.637653 0.399589
C -1.453674 -1.917079 -0.459758
C 0.611254 -0.878268 0.287184
C -5.121238 -0.810904 0.277925
C 2.642222 0.395007 0.607662
C 1.329317 -2.076766 0.319837
C 3.376504 -0.810757 0.635584
C -5.988689 -0.828180 1.534380
C 0.030168 4.159446 -0.605144
C 2.714724 -2.044497 0.489011
H -2.781897 -0.345452 -1.110955
H -3.335617 -1.976134 -1.523574
H -3.220540 -0.826129 1.346382
H -3.823877 -2.432120 0.928361
H 0.479409 2.089654 1.414138
H -0.612762 1.381646 0.233885
H -0.927621 -2.176624 -1.394499
H -1.432801 -2.765279 0.244109
H -5.027201 0.227168 -0.096737
H -5.622889 -1.379030 -0.529941
H 3.163979 1.354000 0.712942
H 0.824318 -3.033890 0.221995
H 0.230926 4.699595 0.327833
H 0.180180 4.905153 -1.402354
H -1.041696 3.935791 -0.627478
H -6.139289 -1.847692 1.907660
H -5.536042 -0.247235 2.346122
H -6.978900 -0.401845 1.338200
H 3.274461 -2.976021 0.518994
H 5.300357 -1.557836 0.541723
H 5.228318 0.102019 0.683455


%chk=000201339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201339

0 1
S 0.664533 3.080298 -0.058211
O -0.798896 -0.504744 -0.131179
O -0.517471 4.151532 0.311506
O 2.233446 3.554350 -0.088587
N 4.788530 -0.948456 0.681494
C -3.045737 -1.190304 -0.736054
C -3.679521 -0.950890 0.652251
C 1.271872 0.351706 0.749494
C 0.528332 1.537052 1.235348
C -1.580537 -1.629572 -0.684845
C 0.583014 -0.701084 0.070735
C -5.151515 -0.489036 0.562684
C 2.671360 0.257794 0.937581
C 1.300873 -1.840233 -0.357926
C 3.406868 -0.872677 0.490078
C -5.790723 -0.252645 1.947777
C 0.259912 2.339969 -1.779273
C 2.693824 -1.925010 -0.151141
H -3.121703 -0.269196 -1.347343
H -3.614527 -1.976125 -1.274673
H -3.086222 -0.192228 1.198314
H -3.623195 -1.885347 1.249282
H 0.960652 2.030910 2.118714
H -0.559474 1.408557 1.310127
H -1.202366 -1.872721 -1.699659
H -1.450952 -2.518312 -0.031933
H -5.202732 0.445609 -0.032249
H -5.741220 -1.246142 0.005537
H 3.189426 1.089193 1.429445
H 0.792154 -2.667924 -0.860100
H -0.709517 1.831774 -1.689352
H 0.224874 3.211235 -2.448230
H 1.078098 1.652392 -2.030495
H -5.786011 -1.179389 2.552246
H -5.235378 0.519271 2.512832
H -6.839192 0.085376 1.856505
H 3.233648 -2.815833 -0.494394
H 5.319059 -1.745352 0.343854
H 5.297511 -0.173196 1.095039


