%chk=000233344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233344

0 1
S -4.021756 -0.531948 -1.310946
O 3.209001 1.770490 -0.049162
N -1.523306 0.274011 -0.766956
N 1.333607 -0.126460 -0.499850
C -0.779140 -0.662639 -1.672050
C -0.617403 1.397449 -0.349421
C 0.432273 -1.247558 -0.918194
C 0.598709 0.821632 0.401235
C -2.757487 0.787631 -1.403015
C 2.621361 -0.522865 0.002050
C 3.643272 0.473253 0.155436
C 2.984517 -1.852778 0.242434
C -4.114797 -0.942233 0.458669
C -5.012581 0.024307 1.214974
C 4.947332 0.131297 0.504101
C 4.301355 -2.198929 0.586150
C -6.493035 -0.110559 0.830155
C 5.275814 -1.217365 0.713516
C -7.378704 0.807293 1.669972
C 4.194742 2.828180 0.016780
H -0.436002 -0.171655 -2.609031
H -1.461469 -1.492767 -1.961952
H -1.179534 2.069591 0.332782
H -0.266451 2.008471 -1.210037
H 0.992983 -1.918558 -1.605312
H 0.077592 -1.856329 -0.057372
H 0.269104 0.329217 1.341546
H 1.282740 1.657614 0.680574
H -2.671136 1.046884 -2.479641
H -3.127766 1.685302 -0.866051
H 2.245881 -2.648919 0.167684
H -3.088394 -0.947245 0.882277
H -4.490412 -1.982110 0.514937
H -4.678456 1.068936 1.055980
H -4.896934 -0.154943 2.304845
H 5.718519 0.887447 0.611143
H 4.548992 -3.244732 0.754632
H -6.821228 -1.161058 0.950461
H -6.624453 0.124456 -0.245893
H 6.297253 -1.483404 0.977681
H -8.431703 0.708942 1.382666
H -7.102849 1.860212 1.543247
H -7.307254 0.574535 2.738111
H 4.968125 2.677525 -0.742122
H 3.587022 3.711622 -0.217169
H 4.617055 2.895256 1.023038


%chk=000233344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233344

0 1
S -4.101913 -0.677554 -1.383858
O 3.180483 1.819648 0.015594
N -1.490810 0.245213 -0.856649
N 1.309062 -0.226454 -0.358051
C -0.721567 -0.699787 -1.693729
C -0.628567 1.330585 -0.327721
C 0.453846 -1.301103 -0.903159
C 0.536869 0.730645 0.475401
C -2.752336 0.678223 -1.439721
C 2.644649 -0.541321 0.004977
C 3.628605 0.492252 0.199503
C 3.091248 -1.887012 0.127320
C -4.155148 -0.925515 0.496289
C -5.065171 0.074122 1.232236
C 4.963692 0.170480 0.523298
C 4.434312 -2.207049 0.428289
C -6.566214 -0.081728 0.901402
C 5.374454 -1.179537 0.636485
C -7.449352 0.950387 1.634633
C 4.176549 2.888427 0.096464
H -0.320767 -0.193270 -2.606588
H -1.403310 -1.508752 -2.014347
H -1.234278 1.977700 0.334342
H -0.208882 1.961484 -1.148438
H 1.052901 -1.928332 -1.586495
H 0.047529 -1.953083 -0.093502
H 0.123967 0.206729 1.368982
H 1.206800 1.535708 0.808887
H -2.703464 0.929459 -2.523175
H -3.127164 1.556326 -0.887467
H 2.370323 -2.700501 0.003338
H -3.100228 -0.849868 0.818890
H -4.498267 -1.965448 0.640183
H -4.742924 1.110578 1.002103
H -4.915846 -0.061135 2.325321
H 5.700059 0.966683 0.668708
H 4.733276 -3.257526 0.512612
H -6.891166 -1.108274 1.169202
H -6.699363 0.015893 -0.193710
H 6.416114 -1.412897 0.880425
H -8.518748 0.811327 1.391199
H -7.170660 1.982790 1.349950
H -7.338590 0.863954 2.732545
H 4.980307 2.745396 -0.651754
H 3.622892 3.813020 -0.125951
H 4.621795 2.955615 1.108637


