%chk=000235530.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235530

0 1
S -2.149621 0.001000 -0.685272
O -2.507648 1.222822 -1.380154
O -2.448828 -1.297549 -1.255902
O 3.613595 0.052076 0.517092
N -2.939003 0.059181 0.850297
N 2.287490 -2.294163 0.622200
C -0.448522 0.065636 -0.328430
C 0.238798 -1.130053 -0.072585
C 0.215059 1.286151 -0.314246
C 1.603510 -1.108887 0.225147
C 2.270605 0.160515 0.240205
C 1.586794 1.344491 -0.024555
C -2.754086 -1.137521 1.702551
C -2.812707 1.343248 1.576578
C 4.406094 1.265958 0.517516
H -0.292283 -2.086899 -0.118877
H -0.322323 2.213098 -0.543632
H 2.093704 2.304755 -0.020089
H -2.968630 -2.046274 1.106160
H -3.490347 -1.122536 2.525736
H -1.749945 -1.227349 2.147601
H -3.065907 2.176128 0.891098
H -1.816429 1.522692 2.010855
H -3.551858 1.377487 2.396809
H 3.300061 -2.204725 0.604269
H 1.998551 -3.123462 0.115464
H 4.055778 1.945816 1.299729
H 4.387755 1.732460 -0.471783
H 5.405842 0.877005 0.753418


%chk=000235530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235530

0 1
S -2.211708 -0.032409 -0.694193
O -2.605522 1.329041 -1.491595
O -2.530203 -1.525141 -1.259480
O 3.729044 0.025596 0.479252
N -3.173229 0.074291 0.946381
N 2.457253 -2.302718 0.318703
C -0.363310 0.040261 -0.318743
C 0.309006 -1.181255 -0.136371
C 0.254315 1.296952 -0.258786
C 1.699322 -1.156508 0.135218
C 2.352032 0.123040 0.212295
C 1.644957 1.324160 0.014175
C -2.882009 -1.101976 1.797483
C -2.962220 1.391345 1.589960
C 4.503648 1.267915 0.527208
H -0.231835 -2.127387 -0.248464
H -0.310834 2.211316 -0.458591
H 2.161585 2.287228 0.057739
H -2.959953 -2.013437 1.181961
H -3.666782 -1.146660 2.574696
H -1.887806 -1.065758 2.298597
H -3.078228 2.180773 0.828774
H -1.976431 1.496093 2.097858
H -3.762278 1.521534 2.341484
H 3.455677 -2.209054 0.486233
H 2.042565 -3.225530 0.236312
H 4.143972 1.929448 1.338489
H 4.455829 1.802305 -0.440784
H 5.538643 0.957636 0.731390


