%chk=000283551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283551

0 1
S 1.760312 1.915847 -0.321416
O 1.982106 1.197658 -1.557275
O 2.863251 2.607240 0.315711
O -3.966191 -2.867287 1.271459
O -3.964009 -2.682677 -0.981339
N 1.204888 0.786525 0.883791
C 2.870969 -0.812484 1.908281
C 2.109877 0.515571 2.040423
C 3.933934 -0.781099 0.803704
C 4.788361 -2.055454 0.813558
C 0.098703 -0.074558 0.684081
C 5.835022 -2.032513 -0.309557
C 0.422040 2.976387 -0.499048
C -0.367662 -0.359498 -0.620649
C -0.585414 -0.618929 1.799441
C 6.692072 -3.296360 -0.309974
C -0.420057 2.873472 -1.614460
C 0.179707 3.964729 0.463024
C -1.515002 -1.123068 -0.795801
C -1.729048 -1.383391 1.610507
C -2.213559 -1.631567 0.314413
C -1.502072 3.738555 -1.760769
C -0.901466 4.834071 0.323386
C -1.753886 4.725152 -0.789328
C -2.917962 5.642513 -0.949589
C -3.431392 -2.423129 0.076677
C -5.165191 -3.701239 1.209484
C -4.785874 -5.118624 0.832733
H 2.160646 -1.642585 1.719522
H 3.348405 -1.042707 2.881838
H 2.831612 1.365342 2.136364
H 1.505324 0.512080 2.976674
H 3.447448 -0.665451 -0.187271
H 4.581990 0.110216 0.922391
H 4.140381 -2.946038 0.701639
H 5.292045 -2.168590 1.792274
H 5.330753 -1.921099 -1.290242
H 6.482541 -1.140111 -0.202913
H 0.195346 -0.041014 -1.503861
H -0.223189 -0.427375 2.807582
H 7.236335 -3.415886 0.633343
H 6.083385 -4.196090 -0.454622
H 7.433775 -3.269682 -1.116156
H -0.225149 2.113130 -2.380729
H 0.844843 4.064635 1.327543
H -1.880727 -1.344880 -1.804025
H -2.265941 -1.796439 2.470215
H -2.154804 3.650336 -2.628049
H -1.082863 5.598398 1.076968
H -3.867810 5.084766 -0.951087
H -2.989986 6.393556 -0.151229
H -2.870024 6.191813 -1.902541
H -5.536105 -3.608916 2.246133
H -5.873954 -3.247554 0.493619
H -5.637294 -5.801835 0.926249
H -3.974647 -5.500523 1.465328
H -4.433692 -5.168542 -0.209225


%chk=000283551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000283551

0 1
S 1.834747 2.055144 -0.327136
O 2.141988 1.340070 -1.759275
O 3.012839 2.896088 0.415330
O -3.837317 -3.056477 1.342275
O -3.922683 -2.627515 -0.954461
N 1.266441 0.846155 1.001672
C 2.992860 -0.679061 2.069878
C 2.222733 0.660505 2.113620
C 3.933152 -0.809597 0.851410
C 4.703025 -2.148937 0.834753
C 0.163066 -0.000707 0.762536
C 5.668855 -2.278082 -0.365485
C 0.323144 3.159649 -0.542488
C -0.400619 -0.190237 -0.535852
C -0.440865 -0.675292 1.871819
C 6.433835 -3.619104 -0.380151
C -0.296306 3.194488 -1.801164
C -0.071799 3.958423 0.540758
C -1.544986 -0.985400 -0.701971
C -1.579078 -1.474585 1.688342
C -2.156934 -1.633420 0.401565
C -1.391560 4.068416 -1.966103
C -1.173441 4.821671 0.349132
C -1.848407 4.887481 -0.898578
C -3.034639 5.812571 -1.095950
C -3.362735 -2.462421 0.161196
C -5.034656 -3.935661 1.200630
C -4.621596 -5.359912 0.816768
H 2.279130 -1.526316 2.084573
H 3.586345 -0.748852 3.005075
H 2.933364 1.507780 2.064067
H 1.666483 0.769462 3.066218
H 3.347794 -0.713281 -0.085682
H 4.654976 0.032843 0.852671
H 3.978769 -2.990245 0.812875
H 5.278503 -2.257484 1.778667
H 5.094845 -2.165505 -1.307254
H 6.391632 -1.437366 -0.341695
H 0.090726 0.233863 -1.415358
H -0.024084 -0.558052 2.875695
H 7.039260 -3.740958 0.538242
H 5.733872 -4.474370 -0.435689
H 7.117350 -3.685764 -1.246597
H 0.074380 2.570428 -2.620418
H 0.457036 3.916491 1.497933
H -1.974679 -1.134587 -1.698163
H -2.037858 -1.979670 2.543098
H -1.896828 4.114501 -2.937602
H -1.508400 5.453578 1.179064
H -3.954857 5.237056 -1.308916
H -3.223534 6.430282 -0.202213
H -2.872522 6.493183 -1.951877
H -5.506420 -3.896098 2.195938
H -5.706353 -3.497415 0.441533
H -5.511368 -6.016851 0.801830
H -3.900739 -5.770573 1.544894
H -4.164785 -5.375539 -0.186783


