%chk=000242569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242569

0 1
S 0.924989 1.550878 -0.309001
O 1.202308 2.930024 0.050603
O 0.204869 1.290876 -1.541143
N -2.840478 0.374182 0.586408
N 0.008690 0.919460 1.035088
C -2.296371 1.767674 0.609353
C -1.056189 1.841865 1.516836
C -4.013818 0.192239 -0.340465
C -1.876278 -0.675544 0.600074
C -0.497350 -0.426486 0.881644
C -3.629971 0.373478 -1.813220
C -5.152332 1.135243 0.063716
C -2.291013 -2.018985 0.470443
C 0.389610 -1.491353 1.083301
C 2.384537 0.626960 -0.286247
C -1.388145 -3.066322 0.640875
C -0.050127 -2.810091 0.952157
C 2.575119 -0.394312 -1.223210
C 3.378848 0.917804 0.653010
C 3.760609 -1.134758 -1.213985
C 4.564473 0.176659 0.663226
C 4.753156 -0.848986 -0.269711
H -3.092844 2.433551 1.009187
H -2.051025 2.129950 -0.416943
H -0.659215 2.882858 1.567116
H -1.316763 1.549002 2.561353
H -4.373188 -0.866421 -0.187782
H -4.469178 0.141979 -2.475990
H -3.308369 1.397237 -2.039947
H -2.792555 -0.279725 -2.094516
H -5.333175 1.099147 1.145924
H -6.084045 0.847641 -0.436766
H -4.951969 2.177806 -0.205241
H -3.335475 -2.239905 0.246266
H 1.428101 -1.289302 1.348841
H -1.733346 -4.094291 0.535808
H 0.645649 -3.631444 1.099508
H 1.797803 -0.611313 -1.966111
H 3.235416 1.727895 1.376041
H 3.910997 -1.930501 -1.942113
H 5.340252 0.400861 1.393848
H 5.678593 -1.426528 -0.262435


%chk=000242569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242569

0 1
S 1.211785 1.160486 -0.608127
O 1.198548 2.812383 -0.454523
O 0.792085 0.461883 -2.044866
N -2.931114 0.346886 0.323282
N -0.133837 0.379831 1.145302
C -2.162008 1.614047 0.261936
C -1.005382 1.572754 1.277690
C -4.381517 0.351306 -0.027647
C -2.192498 -0.828696 0.356087
C -0.774809 -0.774059 0.720848
C -4.587328 0.380860 -1.564067
C -5.147617 1.497261 0.669234
C -2.760227 -2.114332 0.081804
C -0.009046 -1.986341 0.733914
C 2.988238 0.610694 -0.261276
C -1.975877 -3.275294 0.118156
C -0.586563 -3.221093 0.437756
C 3.443911 -0.565488 -0.881548
C 3.778100 1.394778 0.596100
C 4.771578 -0.977195 -0.619100
C 5.102650 0.966788 0.846979
C 5.594313 -0.216469 0.245351
H -2.827890 2.458197 0.497073
H -1.752620 1.769910 -0.757318
H -0.376607 2.475324 1.144990
H -1.386258 1.569850 2.319975
H -4.796397 -0.591666 0.372952
H -5.662709 0.313543 -1.810409
H -4.199051 1.322843 -1.992165
H -4.062926 -0.457336 -2.055111
H -4.911227 1.539835 1.747304
H -6.232300 1.318170 0.563013
H -4.935945 2.482703 0.217702
H -3.811000 -2.204382 -0.204955
H 1.046339 -1.900650 1.015184
H -2.441885 -4.238576 -0.118568
H 0.012349 -4.136662 0.456210
H 2.787897 -1.113726 -1.566177
H 3.376820 2.317621 1.026895
H 5.161113 -1.884529 -1.093135
H 5.747797 1.558221 1.505495
H 6.621914 -0.540678 0.443558


