%chk=000210287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210287

0 1
S 7.248784 -0.054941 -0.305614
S 8.508789 0.503194 0.975396
O 5.780060 0.096965 0.403933
O 7.297029 -1.707081 -0.459772
O 7.159484 0.396887 -1.658060
N 2.183561 0.154862 -0.217292
C -4.021787 -0.821926 0.696009
C -5.246727 -1.238269 -0.164333
C -6.172815 1.121609 -0.089255
C -5.770241 -0.055308 -1.000496
C -4.425806 0.366340 1.596127
C -4.983213 1.549025 0.794032
C -2.778254 -0.492277 -0.153038
C -4.943091 -2.447449 -1.054993
C -1.495984 -0.455443 0.689080
C -6.677232 2.304161 -0.924574
C -0.272995 -0.121807 -0.174257
C 1.007056 -0.084299 0.675777
C 3.450601 0.335697 0.547604
C 4.574969 -0.195173 -0.355915
H -3.769356 -1.686830 1.358019
H -6.057058 -1.539552 0.548741
H -7.003181 0.782800 0.578481
H -5.001686 0.268730 -1.725135
H -6.637759 -0.375745 -1.605033
H -5.178927 0.027138 2.332548
H -3.552618 0.699326 2.188333
H -4.183406 1.980879 0.162291
H -5.295939 2.355059 1.482359
H -2.923945 0.477489 -0.667044
H -2.669828 -1.243673 -0.960229
H -4.169658 -2.222016 -1.798859
H -4.589472 -3.299239 -0.464313
H -5.835472 -2.773118 -1.599945
H -1.348724 -1.431357 1.191220
H -1.602752 0.290670 1.501055
H -6.987228 3.139145 -0.287436
H -7.541113 2.020474 -1.535103
H -5.906093 2.680350 -1.605207
H -0.424791 0.847300 -0.686698
H -0.159338 -0.873589 -0.982019
H 0.910598 0.675699 1.480876
H 1.157669 -1.067291 1.176609
H 2.015769 0.979428 -0.804597
H 3.439679 -0.245411 1.496459
H 3.661907 1.387620 0.836983
H 4.512012 -1.289122 -0.495811
H 4.619616 0.323546 -1.330762
H 7.246809 -2.076176 -1.361443


%chk=000210287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210287

0 1
S 5.308422 -1.947778 -1.034311
S 7.323446 -2.581031 -0.771125
O 4.975027 -0.332944 -0.034770
O 4.102252 -2.981364 -0.011862
O 4.629559 -1.868104 -2.504700
N 2.336834 2.146074 0.784052
C -3.333070 -0.959516 0.452141
C -4.323467 -1.508371 -0.627267
C -5.966744 0.429190 -0.165287
C -5.188895 -0.374142 -1.239015
C -4.144640 -0.183358 1.528348
C -4.993332 0.957511 0.918678
C -2.162732 -0.129681 -0.147475
C -3.636229 -2.347837 -1.727605
C -1.139984 0.366625 0.902254
C -6.790956 1.571498 -0.796490
C 0.136615 0.958103 0.261850
C 1.099318 1.557667 1.322130
C 3.598705 1.434275 0.833077
C 3.632463 0.191334 -0.156316
H -2.870598 -1.841041 0.949848
H -5.019679 -2.184369 -0.081321
H -6.669618 -0.273893 0.334489
H -4.543704 0.321275 -1.816532
H -5.903209 -0.810811 -1.966591
H -4.826093 -0.898060 2.035587
H -3.472916 0.213479 2.313022
H -4.332310 1.725725 0.465442
H -5.566370 1.468961 1.717603
H -2.552126 0.741369 -0.710718
H -1.624358 -0.758215 -0.884311
H -3.027629 -1.718735 -2.403822
H -2.972383 -3.119528 -1.292820
H -4.389774 -2.864496 -2.351173
H -0.858812 -0.476431 1.568210
H -1.605350 1.135345 1.551490
H -7.367525 2.123391 -0.030202
H -7.506599 1.185951 -1.547000
H -6.127860 2.297578 -1.306476
H -0.148814 1.753851 -0.458106
H 0.660100 0.175592 -0.322559
H 0.549502 2.336071 1.891545
H 1.388300 0.777546 2.052169
H 2.210691 2.791751 -0.000500
H 3.787140 1.057790 1.852675
H 4.423481 2.112066 0.556501
H 2.881896 -0.555171 0.165855
H 3.417883 0.535731 -1.187553
H 3.752045 -3.683570 -0.636357


