%chk=000294784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294784

0 1
S 1.411762 -2.374791 -0.192898
O 2.121679 -3.295416 -1.059228
O 0.880021 -2.869687 1.059654
O -2.837289 -1.651301 1.738809
O 0.100219 2.856114 -1.639052
O -2.238295 3.189074 -0.027654
N 0.065884 -1.826440 -1.154465
C -0.759454 -2.906543 -1.756061
C -1.638842 -3.657850 -0.747360
C -0.611120 -0.604887 -0.818330
C -2.857751 -2.845056 -0.318780
C -1.771629 -0.520437 -0.035699
C -2.483378 -1.684593 0.580377
C -0.027560 0.574338 -1.332102
C 2.345107 -0.961287 0.080823
C -2.328024 0.743922 0.252352
C -0.586947 1.822911 -1.058583
C -1.757673 1.906489 -0.245557
C 2.165820 -0.217402 1.253455
C 3.307413 -0.564190 -0.856880
C 2.932899 0.924285 1.484401
C 4.076048 0.575754 -0.632667
C 3.891507 1.331169 0.540726
C 4.709813 2.557110 0.768723
C -0.406454 4.205084 -1.462153
C -3.338314 3.330419 0.904816
H -0.054811 -3.617390 -2.256844
H -1.382601 -2.466955 -2.567345
H -1.047072 -3.949556 0.152679
H -1.972615 -4.615010 -1.195606
H -3.568226 -3.502317 0.229399
H -3.411473 -2.467127 -1.201347
H 0.863373 0.521053 -1.961168
H -3.211334 0.783445 0.893895
H 1.424241 -0.535181 1.997459
H 3.462087 -1.155853 -1.766748
H 2.785577 1.498801 2.397119
H 4.820152 0.882656 -1.365240
H 4.424713 3.355308 0.065303
H 4.597112 2.967215 1.781479
H 5.782652 2.365374 0.618314
H -0.384054 4.476020 -0.401262
H -1.422256 4.281600 -1.865210
H 0.308829 4.791354 -2.049561
H -3.058453 2.947137 1.890908
H -4.232508 2.835953 0.514326
H -3.469775 4.419484 0.927979


%chk=000294784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294784

0 1
S 1.235510 -2.042364 0.394128
O 1.902561 -3.481177 -0.018177
O 0.471520 -1.848767 1.829866
O -4.126267 -1.613738 0.685506
O -0.057492 3.132210 -0.683284
O -2.710834 3.137556 0.492992
N -0.021412 -1.552040 -1.224092
C -0.500726 -2.870728 -1.698250
C -1.523172 -3.642993 -0.844464
C -0.876765 -0.493632 -0.820717
C -2.935971 -3.031015 -0.849718
C -2.218112 -0.534728 -0.287622
C -3.119608 -1.726762 -0.082346
C -0.247960 0.783428 -0.939071
C 2.581318 -0.734494 0.292053
C -2.809325 0.693056 0.114773
C -0.844397 1.988869 -0.538711
C -2.160003 1.935928 0.032024
C 2.517414 0.356477 1.171681
C 3.617937 -0.919848 -0.638111
C 3.550878 1.318041 1.101075
C 4.637298 0.053874 -0.686695
C 4.615895 1.186610 0.173228
C 5.712266 2.232759 0.090248
C -0.682701 4.429201 -1.023003
C -4.027937 3.074959 1.144128
H 0.406715 -3.490269 -1.822416
H -0.908571 -2.683942 -2.713932
H -1.147009 -3.748721 0.190356
H -1.589719 -4.667393 -1.258769
H -3.667596 -3.740468 -0.425849
H -3.240333 -2.842006 -1.902294
H 0.750352 0.827759 -1.381209
H -3.812490 0.611285 0.544571
H 1.697447 0.439343 1.891994
H 3.637229 -1.805334 -1.280909
H 3.522539 2.182017 1.774099
H 5.462537 -0.068416 -1.398089
H 5.633266 2.814402 -0.847968
H 5.659167 2.945881 0.930075
H 6.714479 1.767102 0.100380
H -1.268674 4.821570 -0.178457
H -1.333044 4.325808 -1.911233
H 0.168228 5.087752 -1.254169
H -3.999093 2.414422 2.030281
H -4.804656 2.722463 0.439907
H -4.241690 4.108865 1.451387


