%chk=000215349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215349

0 1
S -0.595396 -0.515525 -1.027638
S -3.759868 -0.531292 -2.379213
P -2.666598 -0.673431 -0.828346
O 2.471745 2.316733 0.281644
O -2.983360 0.339161 0.440866
O -2.635657 -2.091447 0.006671
O 0.242359 2.700138 0.618063
N 1.131597 0.482216 0.713038
N 2.936632 -1.251752 0.557618
C -0.057640 -0.349567 0.750280
C 2.456274 0.004899 0.507768
C 3.265456 1.166679 0.260078
C 1.125969 1.901845 0.532650
C 4.623880 1.048938 0.044511
C -3.707458 1.583544 0.209340
C -3.919941 -2.735037 0.298220
C 5.131138 -0.263593 0.091812
C 4.285680 -1.355703 0.344162
C -2.839220 2.617552 -0.472433
C -3.501397 -4.022338 0.982548
H 0.179137 -1.366869 1.146182
H -0.852530 0.129405 1.375260
H 5.259861 1.911337 -0.148355
H -4.649777 1.383002 -0.334256
H -3.937629 1.860416 1.260606
H -4.506276 -2.076975 0.965788
H -4.463823 -2.926148 -0.647295
H 6.195886 -0.431341 -0.070316
H 4.679152 -2.380246 0.382378
H -3.242490 3.628363 -0.327657
H -1.814385 2.630371 -0.060737
H -2.752133 2.467410 -1.556694
H -4.366378 -4.654061 1.213365
H -2.816578 -4.600863 0.344744
H -2.961532 -3.822121 1.917649


%chk=000215349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215349

0 1
S -0.562888 -0.471408 -1.424236
S -4.098788 -0.639527 -2.570342
P -2.786593 -0.701906 -0.980046
O 2.517149 2.268004 0.813047
O -3.116483 0.386505 0.343543
O -2.647200 -2.150817 -0.031741
O 0.162562 2.504723 1.028822
N 1.202632 0.395990 0.555906
N 3.002367 -1.240022 0.122375
C 0.040182 -0.452100 0.416207
C 2.546984 -0.004610 0.379478
C 3.342567 1.156403 0.543384
C 1.140650 1.781067 0.818047
C 4.730574 1.076324 0.435490
C -3.810513 1.685342 0.075460
C -3.908157 -2.742404 0.519069
C 5.243794 -0.223040 0.158324
C 4.370395 -1.327832 0.013744
C -2.891511 2.724502 -0.568018
C -3.494846 -4.034849 1.215232
H 0.301306 -1.484833 0.678469
H -0.794225 -0.060250 1.017095
H 5.377796 1.948538 0.554673
H -4.701576 1.480965 -0.549263
H -4.129663 1.991503 1.085574
H -4.361714 -2.017643 1.220692
H -4.605343 -2.929391 -0.320058
H 6.321768 -0.375401 0.055534
H 4.763405 -2.326582 -0.198502
H -3.421536 3.694739 -0.614378
H -1.969220 2.857696 0.020662
H -2.619767 2.439340 -1.599717
H -4.386882 -4.528921 1.643044
H -3.018317 -4.727005 0.500997
H -2.784209 -3.829398 2.033736


