%chk=000210381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210381

0 1
S 5.741486 -0.352275 -0.204020
S 5.646487 1.486944 0.715182
O -1.213954 -0.319739 -1.023680
O 5.219605 0.949798 2.241771
O 6.958028 2.027132 0.840439
O 4.535197 2.219596 0.210819
N 1.789030 -0.980776 -0.950778
C 0.877415 -0.540673 -2.050871
C -3.085496 0.314741 0.230369
C -0.475621 -1.238350 -1.890414
C -2.480043 -0.678701 -0.624305
C 3.108732 -0.275583 -1.012137
C -4.395830 0.060734 0.710268
C 4.044026 -0.993279 -0.041764
C -3.132625 -1.839573 -0.977122
C -2.416153 1.519422 0.596855
C -5.064642 -1.150706 0.337739
C -5.014968 1.031089 1.559176
C -4.446844 -2.063605 -0.478381
C -3.035241 2.434482 1.414048
C -4.350035 2.184510 1.899486
H 0.719618 0.563539 -2.081785
H 1.332908 -0.833209 -3.023883
H -0.401031 -2.222960 -1.394590
H -1.018202 -1.324084 -2.846773
H 3.503626 -0.340657 -2.052025
H 3.035843 0.813104 -0.768933
H 1.337076 -0.786676 -0.045679
H 4.097020 -2.081258 -0.275412
H 3.697605 -0.922329 1.009240
H -2.684677 -2.589095 -1.617834
H -1.409187 1.689034 0.211073
H -6.068509 -1.327177 0.715829
H -6.020327 0.835949 1.927515
H -4.952740 -2.986305 -0.764135
H -2.534484 3.356961 1.700106
H -4.818491 2.926147 2.545881
H 5.721901 1.300127 2.996725


%chk=000210381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210381

0 1
S 5.594805 -0.478160 -0.002969
S 5.468465 1.620135 1.307478
O -1.184551 -0.410025 -1.185152
O 6.521449 1.058126 2.733502
O 6.192680 2.912666 0.657439
O 3.932570 1.769217 1.815725
N 1.635724 -0.841589 -1.134468
C 0.851120 -0.830348 -2.378704
C -3.023355 0.282067 0.195233
C -0.558293 -1.360030 -2.123082
C -2.487910 -0.683401 -0.734258
C 3.035275 -0.408631 -1.220866
C -4.358442 0.069705 0.712147
C 3.757944 -0.817402 0.076414
C -3.237837 -1.795533 -1.135810
C -2.279214 1.430331 0.616285
C -5.109156 -1.078431 0.288666
C -4.894603 1.022857 1.640079
C -4.556219 -1.984603 -0.615317
C -2.831668 2.340231 1.522713
C -4.149219 2.134879 2.039561
H 0.776320 0.187168 -2.830741
H 1.346191 -1.485301 -3.122569
H -0.517705 -2.367244 -1.662826
H -1.141947 -1.400736 -3.064249
H 3.504193 -0.916402 -2.086064
H 3.162434 0.687830 -1.381036
H 1.116850 -0.433835 -0.345426
H 3.633082 -1.894024 0.293062
H 3.362318 -0.246604 0.942939
H -2.835416 -2.527159 -1.841854
H -1.274084 1.584269 0.214013
H -6.119415 -1.231261 0.684213
H -5.905779 0.862660 2.032709
H -5.129970 -2.859800 -0.938943
H -2.254910 3.215576 1.840475
H -4.571180 2.854495 2.749753
H 6.875955 1.884603 3.179929


