%chk=000107192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000107192

0 1
S 3.362134 0.439964 0.012630
O 0.551170 1.168389 0.031797
O 4.570948 0.368680 -0.774970
O 2.878621 2.006756 -0.020407
O 3.377137 -0.038053 1.375255
N -1.752256 -0.426259 -0.497826
C 0.744573 -0.144204 -0.159709
C -0.424821 -0.709799 -1.101013
C 2.084808 -0.414394 -0.868295
C -1.975024 0.786944 0.088869
C -2.752844 -1.382458 -0.538864
C -3.223030 1.085183 0.650536
C -3.999402 -1.107545 0.009766
C -4.244088 0.142244 0.610374
H 0.694314 -0.710436 0.803206
H -0.351754 -0.180217 -2.077267
H -0.283830 -1.789201 -1.282474
H 2.303958 -1.491716 -0.937004
H 2.054633 -0.057797 -1.915314
H -1.010337 1.487702 0.143218
H -2.532243 -2.348997 -1.009865
H 1.841531 2.121373 0.100054
H -3.368257 2.064386 1.118162
H -4.785935 -1.865727 -0.024397
H -5.225406 0.358680 1.040837


%chk=000107192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107192

0 1
S 3.336423 0.159881 0.355952
O 0.406589 1.256426 -0.052840
O 4.804128 0.233373 -0.336901
O 2.704960 1.682743 0.804966
O 3.053532 -1.005000 1.470282
N -1.783438 -0.313575 -0.739411
C 0.661527 -0.114814 -0.436553
C -0.472739 -0.514330 -1.423781
C 2.040330 -0.273312 -1.083559
C -2.186808 0.984123 -0.493229
C -2.461163 -1.383904 -0.197717
C -3.325591 1.223587 0.295747
C -3.599284 -1.182915 0.588970
C -4.043774 0.140147 0.842684
H 0.621079 -0.795466 0.447245
H -0.433843 0.142533 -2.308629
H -0.384937 -1.568854 -1.732379
H 2.305225 -1.301610 -1.376012
H 2.251788 0.470496 -1.867571
H -1.559215 1.767563 -0.916839
H -2.058039 -2.375017 -0.415451
H 1.337509 1.607610 0.413955
H -3.626869 2.257147 0.479611
H -4.122032 -2.049037 1.000673
H -4.930759 0.315701 1.458086


