%chk=000021744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000021744

1 1
S -0.914904 -1.738006 -0.789514
S -6.396559 0.889162 0.163770
O -2.037615 1.696078 2.005020
O 1.802870 2.444119 1.145049
O 0.015217 3.179920 -0.004535
O -4.482768 -2.065910 2.548008
O 7.490829 -2.299502 0.317193
N -0.430418 0.174289 1.055425
N -3.414488 -1.064613 0.807110
N 3.544381 0.346800 -1.187679
N 8.390795 -0.198150 0.343737
C -0.860157 -1.253877 0.950459
C -2.224347 -0.868792 1.596323
C -1.721328 0.619538 1.648938
C 0.460337 0.770356 0.176249
C 1.115374 0.113165 -0.823760
C 0.810606 -1.299899 -1.191509
C 2.172297 0.789640 -1.640319
C 0.652373 2.253007 0.403795
C -4.554156 -1.666980 1.404826
C -5.770915 -1.810626 0.518015
C 4.390789 -0.279964 -2.078523
C 3.934418 0.549895 0.113976
C -5.987457 -0.703358 -0.430754
C 5.649952 -0.716967 -1.668729
C 5.192692 0.123552 0.551505
C 6.054213 -0.519502 -0.340334
C -5.944329 -0.700371 -1.793834
C -6.235488 0.594152 -2.367894
C 7.374107 -1.107436 0.135277
C -6.492677 1.555971 -1.441223
H -0.235356 -1.942616 1.558562
H -2.360630 -1.296204 2.634126
H 1.499353 -2.009305 -0.686402
H 0.913359 -1.479294 -2.283900
H -3.443898 -0.682369 -0.139116
H 2.042314 0.554268 -2.726839
H 2.130261 1.907064 -1.577399
H -5.704417 -2.790508 -0.018482
H -6.667109 -1.937186 1.183840
H 4.047213 -0.430522 -3.115969
H 3.222542 1.055767 0.808877
H 1.917871 3.397042 1.437711
H 6.309325 -1.231551 -2.384575
H 5.480875 0.284205 1.601035
H -5.732248 -1.559485 -2.415723
H -6.246524 0.746685 -3.440254
H -6.737906 2.593803 -1.599062
H 9.301058 -0.530856 0.651494
H 8.314973 0.788271 0.164910


%chk=000021744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021744

1 1
S -0.930412 -1.394273 -0.771658
S -6.917979 0.599059 -0.214789
O -2.356571 2.266734 1.422101
O 0.434511 2.945044 2.023567
O 1.482688 3.473811 0.022100
O -4.253925 -2.046417 2.682975
O 7.993673 -2.146573 -1.617076
N -0.530850 0.650860 1.067507
N -3.577509 -0.718348 0.900917
N 3.722336 0.423457 -1.156664
N 8.305364 -1.273440 0.519583
C -0.957267 -0.768852 1.011772
C -2.366976 -0.333522 1.570363
C -1.871485 1.136005 1.398096
C 0.549232 1.220139 0.388857
C 1.260112 0.495196 -0.557674
C 0.915870 -0.943835 -0.916537
C 2.377477 1.117885 -1.365463
C 0.868419 2.651996 0.747477
C -4.491695 -1.556416 1.543607
C -5.782047 -1.869637 0.762592
C 4.480824 0.043293 -2.241107
C 4.188312 0.230651 0.120639
C -6.078033 -0.994600 -0.425582
C 5.735451 -0.547052 -2.061798
C 5.447271 -0.340843 0.346576
C 6.249864 -0.738364 -0.754040
C -5.808963 -1.225576 -1.770787
C -6.245943 -0.167469 -2.650689
C 7.595032 -1.440119 -0.645977
C -6.854642 0.883010 -1.983646
H -0.359557 -1.444773 1.641212
H -2.473933 -0.631465 2.632287
H 1.461559 -1.671151 -0.286599
H 1.177484 -1.155012 -1.968146
H -3.838122 -0.318814 -0.006406
H 2.158569 1.035059 -2.445220
H 2.507818 2.187330 -1.123749
H -5.701217 -2.923318 0.432829
H -6.599141 -1.852585 1.505502
H 4.052651 0.225608 -3.229030
H 3.522648 0.539976 0.929741
H 0.548934 3.913068 2.228068
H 6.323784 -0.883405 -2.920071
H 5.764989 -0.491352 1.381704
H -5.331503 -2.143745 -2.125329
H -6.124973 -0.192625 -3.735951
H -7.284384 1.798101 -2.387182
H 9.201499 -1.757915 0.601534
H 8.045459 -0.621886 1.258465


