%chk=000183865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183865

0 1
S 2.595426 0.592820 -1.194998
O -1.944457 3.469746 -0.280383
N -2.610470 1.310870 -0.162477
N 2.072483 -0.667364 1.000405
N 3.383253 -0.861768 0.815580
N 5.143247 -0.415243 -0.801637
C -0.992889 -0.509039 0.035753
C 0.068494 0.486026 0.015318
C -2.339005 -0.062049 -0.052379
C -0.217667 1.810603 -0.084992
C -0.757735 -1.901976 0.146915
C -3.413665 -0.990887 -0.034256
C 1.466681 0.065809 0.080535
C -1.585431 2.311961 -0.181207
C -1.808746 -2.801440 0.164208
C -3.140790 -2.341760 0.073636
C 3.873293 -0.278410 -0.307536
H 0.549847 2.588410 -0.082655
H -3.582595 1.626909 -0.221466
H 0.269541 -2.268593 0.226792
H -4.439940 -0.636927 -0.101935
H -1.616305 -3.869363 0.252829
H -3.957516 -3.065613 0.090667
H 5.835558 -0.852204 -0.199380
H 5.506690 0.292482 -1.423336


%chk=000183865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183865

0 1
S 2.856424 1.252416 -0.413059
O -1.880790 3.500131 -0.489939
N -2.586287 1.296334 -0.172483
N 1.981252 -1.253570 -0.070037
N 3.362331 -1.373746 -0.118719
N 5.331185 -0.058080 -0.370174
C -1.019043 -0.584345 -0.005104
C 0.077780 0.385327 -0.182917
C -2.363561 -0.073064 -0.006920
C -0.224341 1.734181 -0.343070
C -0.843407 -1.988979 0.168125
C -3.473208 -0.945170 0.158769
C 1.489152 -0.024328 -0.196982
C -1.581923 2.271422 -0.346234
C -1.944339 -2.845160 0.331695
C -3.264329 -2.322315 0.326986
C 3.971380 -0.181498 -0.291352
H 0.555804 2.488622 -0.479749
H -3.547232 1.652565 -0.170786
H 0.174093 -2.385362 0.169658
H -4.489147 -0.532431 0.154297
H -1.781222 -3.919554 0.462797
H -4.122968 -2.990418 0.454482
H 5.888748 -0.907437 -0.293116
H 5.790949 0.837460 -0.502167


