%chk=000225672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225672

0 1
S 0.435441 -1.663252 -1.700118
S 0.515995 -3.325901 1.260746
P 0.056477 -1.715446 0.361045
O -1.559507 -1.487262 0.624789
O 0.729004 -0.290417 0.904390
C -2.151641 -0.257699 0.299217
C 1.884737 0.138651 0.221580
C -2.888383 -0.175499 -0.898642
C 1.731097 1.136787 -0.763578
C -2.143096 0.778454 1.257662
C 3.147381 -0.316880 0.650046
C -3.550102 1.030492 -1.177369
C 2.888782 1.615809 -1.393646
C -2.822402 1.964301 0.941232
C 4.279340 0.189931 -0.008573
C -3.506375 2.090791 -0.270225
C 4.148100 1.134885 -1.027185
C -2.997699 -1.330672 -1.832945
C 0.395388 1.692994 -1.116926
C -1.440141 0.624810 2.560268
C 3.303929 -1.286645 1.767893
H -4.112524 1.132103 -2.103726
H 2.803387 2.372019 -2.171892
H -2.823676 2.788569 1.652482
H 5.268917 -0.156842 0.284877
H -4.023567 3.021535 -0.502503
H 5.037175 1.510157 -1.533712
H -2.856801 -2.291988 -1.313374
H -3.984811 -1.376029 -2.313677
H -2.247752 -1.273634 -2.635518
H -0.289549 1.695502 -0.253113
H 0.460112 2.732381 -1.467223
H -0.090900 1.118573 -1.919499
H -1.780914 1.344541 3.314506
H -1.585808 -0.382190 2.984201
H -0.348928 0.769285 2.444601
H 4.252161 -1.152429 2.305269
H 2.500613 -1.194808 2.516544
H 3.286020 -2.328789 1.407829
H 0.659816 -3.003187 -1.864431


%chk=000225672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225672

0 1
S 0.615149 -2.093647 -1.890017
S 0.442248 -3.573456 1.510077
P 0.062787 -1.906081 0.379996
O -1.630424 -1.486872 0.592863
O 0.819038 -0.349142 0.750701
C -2.246588 -0.227300 0.322637
C 2.000480 0.163853 0.128747
C -2.984610 -0.092496 -0.884411
C 1.838999 1.154506 -0.879166
C -2.232504 0.761080 1.344542
C 3.267456 -0.229823 0.639294
C -3.674500 1.127333 -1.089534
C 3.016959 1.735145 -1.409674
C -2.939442 1.962767 1.091020
C 4.413177 0.382283 0.075631
C -3.641205 2.154111 -0.119687
C 4.293407 1.349170 -0.946432
C -3.063448 -1.220963 -1.892089
C 0.472170 1.590672 -1.366109
C -1.518068 0.530069 2.658560
C 3.393636 -1.255428 1.746330
H -4.250872 1.260888 -2.012159
H 2.923876 2.499699 -2.189414
H -2.945481 2.744584 1.859167
H 5.403201 0.097961 0.449930
H -4.180691 3.090989 -0.296902
H 5.191680 1.810077 -1.371449
H -3.399450 -2.155822 -1.407653
H -3.769687 -0.972779 -2.702077
H -2.077326 -1.434142 -2.343202
H -0.200697 1.840934 -0.528327
H 0.559216 2.474461 -2.020215
H -0.028524 0.794550 -1.949047
H -1.792919 1.303617 3.395002
H -1.766858 -0.461381 3.077501
H -0.421643 0.551612 2.520178
H 4.410072 -1.242587 2.174149
H 2.665741 -1.069727 2.555620
H 3.192722 -2.278513 1.378365
H 0.362219 -3.457200 -1.861441


