%chk=000216385.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216385

0 1
S 3.658915 -0.503107 -1.830920
O 1.435583 -0.863058 -0.693798
O 2.627212 -0.578259 1.888771
O 3.362193 2.190555 -0.417574
O 5.612623 0.781485 0.267015
O -2.686145 1.558276 -0.558623
O -4.522693 2.762471 -0.514580
C 3.423082 0.392577 1.222210
C 2.581555 1.123962 0.148554
C 4.730430 -0.249093 0.684610
C 2.224881 0.288536 -1.086229
C 4.494451 -1.265320 -0.425889
C 0.080380 -0.733791 -0.502649
C -0.638283 0.443450 -0.652687
C -2.684239 -0.807885 -0.018938
C -0.534671 -1.958238 -0.121293
C -2.026035 0.386569 -0.405044
C -1.893915 -1.978405 0.111806
C -4.114769 -0.757084 0.214365
C -4.775833 0.423352 0.058679
C -4.839816 -1.993517 0.620405
C -4.128555 1.646872 -0.330383
H 3.686861 1.105280 2.043775
H 1.656886 1.535470 0.621652
H 5.285505 -0.723546 1.534322
H 1.704205 0.892227 -1.866059
H 3.933699 -2.146329 -0.059796
H 5.467447 -1.645483 -0.810301
H 2.220753 -1.208226 1.238622
H 3.435618 2.936813 0.219768
H 5.211073 1.318178 -0.475084
H -0.200196 1.389919 -0.956950
H 0.078075 -2.852591 -0.032795
H -2.375012 -2.914906 0.404111
H -5.852002 0.511053 0.222787
H -4.745004 -2.785686 -0.138771
H -4.452139 -2.396460 1.569228
H -5.918120 -1.827561 0.767482


%chk=000216385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216385

0 1
S 3.563377 -0.560711 -1.934559
O 1.424461 -0.920804 -0.259896
O 3.043550 -0.588194 2.027536
O 3.319094 2.260525 -0.458625
O 5.813418 0.907734 -0.053538
O -2.741886 1.582890 -0.471667
O -4.684987 2.829326 -0.541593
C 3.726319 0.427056 1.216295
C 2.720543 1.106910 0.241109
C 4.985002 -0.158537 0.511517
C 2.213597 0.183485 -0.888747
C 4.641770 -1.241416 -0.525983
C 0.019279 -0.817213 -0.205709
C -0.689482 0.386662 -0.390498
C -2.819023 -0.836828 -0.002094
C -0.664035 -2.031529 0.077931
C -2.096595 0.360301 -0.288109
C -2.060008 -2.030488 0.178292
C -4.274181 -0.767599 0.092534
C -4.903206 0.450861 -0.089510
C -5.076117 -2.015612 0.388116
C -4.200496 1.694994 -0.376071
H 4.077392 1.185290 1.939781
H 1.841914 1.429816 0.839679
H 5.610610 -0.621605 1.294959
H 1.586201 0.751827 -1.594876
H 4.124452 -2.101022 -0.069161
H 5.559524 -1.587766 -1.026356
H 2.424348 -1.097621 1.435381
H 3.498767 2.979880 0.198937
H 5.247942 1.409416 -0.704990
H -0.208575 1.347108 -0.592064
H -0.081525 -2.948246 0.203199
H -2.578356 -2.969807 0.393537
H -5.990935 0.540520 -0.023119
H -4.910913 -2.788488 -0.386002
H -4.782678 -2.458062 1.358565
H -6.154561 -1.794551 0.425596


