%chk=000272208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272208

0 1
S -2.609014 2.463052 -1.301344
O 2.284687 2.338926 -0.683546
N 2.422771 -0.744410 -0.764984
N 0.117380 1.694125 -0.339571
C 4.429322 -2.787351 -0.108424
C 4.561431 -1.321840 0.349607
C 2.936089 -3.124376 -0.292182
C 3.872243 -0.371899 -0.639672
C 2.263485 -2.149337 -1.271213
C 1.702047 0.217534 -1.654952
C 5.082804 -3.736961 0.899509
C 1.435621 1.484479 -0.842603
C -0.856769 0.634218 -0.230597
C -0.301113 3.017236 0.070194
C -2.196000 0.874309 -0.681545
C -1.573616 3.477756 -0.313322
C -0.526128 -0.587319 0.314843
C -1.493671 -1.638345 0.354759
C -3.146799 -0.108562 -0.636072
C -2.807190 -1.405772 -0.132725
C 0.538538 3.849977 0.827708
C -2.017284 4.746438 0.054155
C -1.163064 -2.929037 0.877734
C 0.096072 5.127344 1.180384
C -3.765294 -2.467068 -0.094454
C -1.173134 5.576688 0.799277
C -2.102967 -3.928977 0.903753
C -3.420114 -3.696068 0.410498
H 4.946450 -2.903447 -1.092411
H 5.625276 -1.041614 0.451741
H 4.112239 -1.199351 1.355101
H 2.421505 -3.079448 0.687728
H 2.815907 -4.159225 -0.659594
H 3.922610 0.675471 -0.257271
H 4.403662 -0.381166 -1.615060
H 2.678948 -2.287808 -2.292207
H 1.174670 -2.373172 -1.326458
H 2.279986 0.523076 -2.559102
H 0.759115 -0.235764 -2.033566
H 6.148164 -3.513444 1.024129
H 4.618016 -3.664699 1.889210
H 5.003688 -4.780362 0.576132
H 0.478525 -0.775414 0.712490
H -4.169687 0.073631 -0.971011
H 1.537345 3.508582 1.113124
H -3.010042 5.092968 -0.235837
H -0.153883 -3.095455 1.253703
H 0.750687 5.778461 1.760284
H -4.769882 -2.278827 -0.471364
H -1.506461 6.572924 1.083964
H -1.860269 -4.913577 1.301429
H -4.143303 -4.509500 0.444526


%chk=000272208-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272208

0 1
S -2.644236 2.520630 -1.449192
O 2.241383 2.429526 -1.044138
N 2.418475 -0.777772 -0.841459
N 0.101226 1.683052 -0.459361
C 4.491007 -2.744319 -0.046865
C 4.487208 -1.279050 0.454307
C 3.042926 -3.155543 -0.409870
C 3.812401 -0.334241 -0.557965
C 2.395749 -2.161118 -1.393509
C 1.684883 0.163841 -1.734401
C 5.118561 -3.705957 0.983310
C 1.380697 1.501471 -1.045326
C -0.879785 0.627775 -0.322946
C -0.286938 2.998506 0.017288
C -2.234974 0.884565 -0.728835
C -1.551091 3.516304 -0.357750
C -0.549452 -0.610601 0.234106
C -1.525779 -1.652225 0.336536
C -3.213113 -0.101513 -0.612400
C -2.885460 -1.396351 -0.094145
C 0.557303 3.767056 0.852539
C -1.967336 4.791823 0.078412
C -1.196578 -2.942793 0.869294
C 0.151008 5.050938 1.274091
C -3.863362 -2.438235 0.025112
C -1.106524 5.567815 0.885414
C -2.169295 -3.939827 0.973485
C -3.513053 -3.685318 0.548115
H 5.097012 -2.781569 -0.979099
H 5.523456 -0.934283 0.638863
H 3.942455 -1.224885 1.418296
H 2.435039 -3.193659 0.517343
H 3.030887 -4.169760 -0.855433
H 3.783270 0.697823 -0.171093
H 4.414038 -0.309144 -1.503894
H 2.935320 -2.208888 -2.375447
H 1.342436 -2.444411 -1.581061
H 2.283436 0.427253 -2.638466
H 0.755865 -0.329162 -2.066146
H 6.158619 -3.414845 1.222108
H 4.541396 -3.698536 1.928184
H 5.135183 -4.745915 0.606148
H 0.488118 -0.794815 0.540054
H -4.244697 0.112731 -0.912815
H 1.531119 3.368309 1.141754
H -2.954544 5.168586 -0.207941
H -0.167456 -3.133071 1.196853
H 0.817287 5.645480 1.907775
H -4.892031 -2.242618 -0.299788
H -1.422315 6.562766 1.216413
H -1.909865 -4.922388 1.382303
H -4.266282 -4.475838 0.636136


