%chk=000193252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193252

0 1
S -1.289534 -0.843766 0.797900
O -0.113909 -0.731547 1.653837
O -2.296536 -1.827905 1.112559
O 1.774425 -3.568166 -2.270427
O 2.430255 -0.871042 -2.147447
O 4.073534 -0.977641 1.427932
O 5.520601 0.695044 0.942507
N -0.641136 -1.173738 -0.754336
N 2.079248 -0.103361 -0.022857
C 0.613477 -1.920276 -0.904207
C -2.033670 0.682241 0.552741
C 0.537532 -2.880848 -2.121341
C 1.795581 -0.935062 -1.101950
C -1.253798 1.818235 0.299782
C -3.427825 0.800518 0.631130
C -3.259419 3.180137 0.187930
C -1.859446 3.059697 0.115678
C -4.039757 2.038759 0.448418
C 3.292748 0.724593 -0.045270
C -3.909286 4.508966 0.007538
C 4.434938 0.185190 0.800269
C 5.082665 -1.615949 2.259396
H 0.833423 -2.534557 0.016261
H -1.146344 -0.997346 -1.621691
H -0.195326 -3.690740 -1.940072
H 0.292411 -2.340702 -3.053519
H -0.162498 1.735949 0.245864
H -4.041159 -0.085778 0.840688
H 1.656688 -0.277000 0.909859
H -1.247210 3.938710 -0.080591
H -5.123750 2.122989 0.512519
H 3.666921 0.831851 -1.103239
H 3.050159 1.755319 0.311999
H 2.469279 -2.935459 -2.605664
H -4.012246 5.026109 0.975861
H -3.334375 5.177103 -0.649699
H -4.919209 4.432500 -0.420425
H 5.804479 -2.116154 1.606599
H 4.490770 -2.331138 2.841475
H 5.577600 -0.875736 2.896693


%chk=000193252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193252

0 1
S -0.842484 -0.290045 0.866904
O 0.500137 0.241614 1.635684
O -1.667578 -1.540601 1.505968
O 1.310969 -3.683810 -2.412619
O 2.985917 -1.583077 -2.081594
O 4.318825 -1.443725 1.466397
O 5.944392 0.212863 1.255925
N -0.222622 -0.588451 -0.873923
N 2.598309 -0.221528 -0.234301
C 0.768630 -1.704501 -1.005999
C -2.033813 1.127222 0.555623
C 0.390821 -2.576524 -2.241873
C 2.213058 -1.152007 -1.154824
C -1.515818 2.368708 0.149276
C -3.397746 0.886017 0.781231
C -3.828202 3.234648 0.156610
C -2.433394 3.421064 -0.052215
C -4.292689 1.959630 0.573912
C 3.963736 0.287895 -0.198591
C -4.793800 4.387827 -0.038824
C 4.852011 -0.290673 0.910059
C 5.138891 -2.085251 2.525203
H 0.750089 -2.372742 -0.118709
H -1.070946 -0.748967 -1.452751
H -0.603368 -3.028218 -2.073442
H 0.355486 -1.926247 -3.143411
H -0.441439 2.509333 -0.001184
H -3.739599 -0.098274 1.118160
H 1.933470 0.037752 0.520540
H -2.061948 4.400375 -0.374661
H -5.363886 1.802946 0.741651
H 4.443500 0.044775 -1.165393
H 3.976945 1.385760 -0.080876
H 2.205538 -3.258806 -2.569004
H -4.736493 5.095310 0.810472
H -4.560375 4.960330 -0.954058
H -5.837429 4.038440 -0.109591
H 6.117061 -2.386580 2.114855
H 4.551889 -2.958534 2.840179
H 5.294259 -1.383952 3.361891


