%chk=000202385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202385

0 1
S -0.322765 2.291688 -1.640138
S 2.930795 0.512741 1.366791
O -0.841327 2.691129 -0.099753
O 2.995759 -1.157301 1.097772
O 0.446748 1.053673 -1.537480
O 0.361818 3.467693 -2.105903
O 4.029063 0.795566 2.246893
O 1.574361 0.792312 1.801170
N -2.829280 0.283689 -0.026455
N 0.018409 -3.063010 0.007755
C -1.558990 -1.486535 -1.159670
C -2.218073 -1.075413 0.167061
C -0.980369 -2.907629 -1.103177
C -2.419762 1.251779 1.042496
C 1.194803 -2.151373 -0.153470
C -4.319153 0.193174 -0.098978
C 0.460927 -4.489379 0.084383
C -0.946946 1.646625 0.889427
C 1.799198 -1.936613 1.244931
C -1.779781 2.030323 -2.523105
C 3.223632 1.110591 -0.219307
H -2.288118 -1.422779 -1.987910
H -0.748542 -0.758690 -1.406808
H -2.959252 -1.838204 0.481972
H -1.446796 -1.070091 0.970835
H -0.557283 -3.166463 -2.098618
H -1.800308 -3.634298 -0.905562
H -2.588983 0.864319 2.071030
H -3.041180 2.171865 0.944281
H 1.971924 -2.531788 -0.848126
H 0.860576 -1.169983 -0.575920
H -4.734466 1.182525 -0.347159
H -4.803847 -0.158276 0.824608
H -4.597439 -0.494880 -0.913360
H -0.409051 -5.122137 0.321280
H 1.176618 -4.604194 0.914731
H 0.936064 -4.876405 -0.828979
H -0.275727 0.794814 0.648601
H -0.552253 2.131787 1.807752
H 2.165278 -2.879983 1.694166
H 1.083979 -1.453528 1.937368
H -2.381326 2.940823 -2.663652
H -2.458936 1.309812 -2.006219
H -1.625130 1.612117 -3.527033
H 4.058509 0.613794 -0.736126
H 3.447000 2.187766 -0.264737
H 2.346721 0.982449 -0.905357


%chk=000202385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202385

0 1
S -0.286101 2.442957 -1.624901
S 3.108406 0.390823 1.406010
O -1.098838 2.995747 -0.030703
O 3.167395 -1.266366 0.505866
O 0.526047 1.045851 -1.388464
O 0.512752 3.727113 -2.184017
O 4.338532 0.480432 2.447595
O 1.589263 0.610581 1.951121
N -2.783811 0.352962 -0.052545
N -0.062421 -3.161551 0.013984
C -1.714615 -1.637938 -1.182967
C -2.076025 -0.949832 0.148345
C -1.159001 -3.065506 -0.986760
C -2.553380 1.303443 1.070364
C 1.145373 -2.378630 -0.350659
C -4.233035 0.153649 -0.303671
C 0.247493 -4.576669 0.317910
C -1.172830 1.970280 1.041276
C 2.063308 -2.182317 0.871264
C -1.832877 2.081779 -2.654600
C 3.454636 1.457838 -0.117394
H -2.610257 -1.722603 -1.830734
H -0.991440 -0.998139 -1.720890
H -2.690747 -1.637634 0.779023
H -1.145565 -0.767834 0.710444
H -0.844838 -3.469437 -1.985081
H -1.976331 -3.719643 -0.622538
H -2.675952 0.806096 2.065163
H -3.318337 2.100192 1.012333
H 1.721122 -2.856556 -1.182484
H 0.838264 -1.375856 -0.695180
H -4.711454 1.118880 -0.549924
H -4.768287 -0.286140 0.572339
H -4.377101 -0.527461 -1.160706
H -0.676091 -5.097070 0.628058
H 0.964969 -4.648095 1.152568
H 0.678651 -5.127349 -0.556702
H -0.337092 1.250915 0.947223
H -0.999641 2.550262 1.967035
H 2.552733 -3.112211 1.209968
H 1.462458 -1.761973 1.703094
H -2.344966 3.047771 -2.761782
H -2.379806 1.358975 -2.018773
H -1.480884 1.674209 -3.612697
H 4.385409 1.060455 -0.543676
H 3.563015 2.488238 0.249972
H 2.578996 1.321466 -0.770807


