%chk=000208258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208258

0 1
S 0.030529 1.066605 -0.424592
O -0.246093 1.111724 -1.838464
O -0.280548 2.213632 0.395333
O -1.064228 -2.562470 0.465461
N -0.855593 -0.284613 0.224092
C -2.183076 -0.028258 0.858316
C 1.648198 0.542157 -0.153980
C 0.882358 -1.782235 -0.699896
C 1.960349 -0.815919 -0.317844
C -3.301503 0.011837 -0.192823
C -0.433151 -1.614178 0.050591
C -4.644725 0.369224 0.457040
C 2.640070 1.455024 0.214571
C 3.279037 -1.253334 -0.131220
C 3.953881 1.019091 0.402133
C 4.269431 -0.333272 0.224671
C -5.771564 0.402962 -0.572521
H -2.122503 0.934610 1.418528
H -2.386790 -0.832065 1.605625
H 0.680803 -1.711320 -1.799252
H 1.213042 -2.839086 -0.557272
H -3.062960 0.741356 -0.992686
H -3.374733 -0.970420 -0.701624
H -4.570899 1.353929 0.960436
H -4.887705 -0.364184 1.251423
H 2.388434 2.511181 0.363778
H 3.533992 -2.304557 -0.257996
H 4.729423 1.728758 0.687570
H -5.579021 1.143665 -1.357814
H -5.899083 -0.568443 -1.064327
H -6.727822 0.662309 -0.104478
H 5.296748 -0.674210 0.369420


%chk=000208258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208258

0 1
S 0.084769 1.161313 -0.674881
O -0.116079 1.126531 -2.286300
O -0.294618 2.501546 0.158603
O -1.116737 -2.568895 0.300905
N -0.872478 -0.275534 0.113857
C -2.154673 0.075646 0.761451
C 1.798309 0.548256 -0.208164
C 0.895774 -1.745534 -0.857268
C 2.010958 -0.835081 -0.369082
C -3.362797 0.006784 -0.197447
C -0.439649 -1.581097 -0.104904
C -4.683894 0.335114 0.534344
C 2.744016 1.465758 0.265475
C 3.300392 -1.309217 -0.026940
C 4.024464 0.960954 0.593309
C 4.295769 -0.419161 0.441351
C -5.904672 0.291111 -0.409713
H -2.045268 1.093190 1.183092
H -2.289417 -0.633556 1.598954
H 0.696134 -1.544087 -1.930374
H 1.182165 -2.803722 -0.763331
H -3.215314 0.717597 -1.034090
H -3.420400 -1.008505 -0.633660
H -4.610252 1.340675 0.996689
H -4.831923 -0.384743 1.364866
H 2.491163 2.523655 0.386448
H 3.518313 -2.378615 -0.122050
H 4.797354 1.639539 0.967200
H -5.794678 1.022189 -1.232359
H -6.018557 -0.711026 -0.863794
H -6.840031 0.526585 0.130116
H 5.286155 -0.808168 0.699896


