%chk=000239490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239490

0 1
S -2.147041 0.604191 0.446829
O -3.364768 1.050991 -2.124611
O -3.158411 -0.286739 -3.815069
N 2.813725 -0.408443 -0.280377
N 0.663366 -1.176525 -0.574096
N 2.304343 1.673375 0.999026
N -2.177049 -2.172290 0.174669
N -0.141834 1.966074 1.327990
N -2.953684 -2.462321 -1.944408
N 1.428201 3.451900 2.292340
N -3.141057 -0.041059 -2.627831
C 4.276820 -0.307056 -0.442505
C 1.978083 0.527299 0.330486
C 4.640579 0.272680 -1.819624
C 0.623726 0.032961 0.140317
C 1.952743 -1.416023 -0.828768
C -0.411792 0.840481 0.647405
C 6.152788 0.331930 -1.997969
C -2.327544 -0.904015 -0.366875
C 1.203842 2.337548 1.502926
C -2.812657 -1.106053 -1.677271
C -2.553745 -3.100717 -0.819084
C -1.628834 -2.489320 1.494869
H 4.680296 0.345959 0.370547
H 4.724293 -1.316801 -0.304744
H 4.204325 1.288362 -1.925699
H 4.183739 -0.333158 -2.627313
H 2.348770 -2.262507 -1.373998
H 6.629790 0.964597 -1.239238
H 6.414355 0.754023 -2.977264
H 6.614680 -0.660511 -1.941135
H -2.527426 -4.172560 -0.684123
H -1.898582 -3.515223 1.799107
H -0.520973 -2.408270 1.484728
H -2.012053 -1.791234 2.265045
H 2.347942 3.869243 2.293205
H 0.647445 4.057611 2.507312


%chk=000239490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239490

0 1
S -2.081884 0.231893 1.195389
O -1.870765 1.380987 -1.755427
O -3.025897 0.353297 -3.444942
N 2.829880 -0.493095 -0.092115
N 0.753943 -1.459038 0.143087
N 2.308103 1.795231 0.674322
N -2.341825 -2.361232 0.131228
N -0.059982 2.035961 1.305111
N -2.670345 -2.110100 -2.104863
N 1.447783 3.809523 1.534718
N -2.459040 0.351521 -2.288441
C 4.252420 -0.327689 -0.444642
C 1.984399 0.515402 0.372488
C 4.448705 0.312873 -1.838181
C 0.693075 -0.096932 0.502641
C 2.036909 -1.647947 -0.209339
C -0.327906 0.764944 0.965246
C 5.945323 0.479264 -2.173972
C -2.249378 -0.988712 -0.120886
C 1.236394 2.504872 1.160484
C -2.467530 -0.872610 -1.510070
C -2.581254 -2.988105 -1.088453
C -2.032644 -3.026882 1.404135
H 4.718538 0.308864 0.329379
H 4.732207 -1.323068 -0.403813
H 3.944108 1.296376 -1.849916
H 3.952771 -0.315684 -2.602412
H 2.454014 -2.592916 -0.551827
H 6.450460 1.132072 -1.437749
H 6.074711 0.935770 -3.170884
H 6.469636 -0.495107 -2.179934
H -2.677503 -4.066880 -1.184398
H -2.323424 -4.086808 1.329867
H -0.947967 -2.945151 1.590731
H -2.585938 -2.555755 2.231486
H 2.371077 4.218223 1.421933
H 0.655227 4.365040 1.844817


