%chk=000284368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284368

0 1
S -0.343173 1.203472 -1.312575
O -0.430416 2.574018 -0.853034
O -0.650420 0.892624 -2.688333
N -1.399778 0.244671 -0.312759
C -1.240528 -1.190711 -0.352931
C -2.596114 0.766140 0.292654
C 1.201203 0.568058 -0.908855
C -1.066159 -1.856603 -1.578637
C -2.588631 2.049005 0.871026
C -1.221470 -1.908372 0.858059
C -3.769938 -0.014033 0.323861
C 2.087353 1.256702 -0.184406
C 3.429954 0.764887 0.168827
C -0.848651 -3.235869 -1.581719
C -3.749723 2.536682 1.472413
C -1.009231 -3.287092 0.833462
C -4.917123 0.489525 0.937542
C -0.816665 -3.953405 -0.381975
C -4.913913 1.763056 1.514771
C 3.986097 1.129212 1.408703
C 4.166562 -0.046643 -0.709386
C 5.256206 0.673821 1.766548
C 5.441785 -0.491116 -0.349427
C 5.986140 -0.135197 0.888095
H 1.426268 -0.436534 -1.283625
H -1.121189 -1.309244 -2.527135
H -1.694319 2.679279 0.837800
H -1.375668 -1.386908 1.802013
H -3.789642 -1.001710 -0.133805
H 1.847922 2.262864 0.201996
H -0.712347 -3.754917 -2.530622
H -3.743514 3.533446 1.913510
H -0.992576 -3.846639 1.768446
H -5.823050 -0.115353 0.960277
H -0.648895 -5.028073 -0.393261
H -5.811607 2.151329 1.988390
H 3.423841 1.761575 2.095679
H 3.748095 -0.322613 -1.677580
H 5.681050 0.951487 2.730640
H 6.011307 -1.116979 -1.035755
H 6.978956 -0.485539 1.168408


%chk=000284368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284368

0 1
S -0.257838 1.082878 -1.108360
O -0.252725 2.670353 -0.675295
O -0.608766 0.656543 -2.662449
N -1.493664 -0.096444 0.441136
C -1.440885 -1.422232 -0.091614
C -2.727551 0.573084 0.600029
C 1.445052 0.403375 -0.757987
C -2.065644 -1.824842 -1.310008
C -2.674485 1.921092 1.084793
C -0.625734 -2.350298 0.616339
C -4.008533 -0.044290 0.417999
C 2.303031 1.142901 -0.013900
C 3.686846 0.788632 0.345183
C -1.904089 -3.144905 -1.778461
C -3.860341 2.629120 1.342910
C -0.489683 -3.674487 0.152923
C -5.185581 0.667175 0.716580
C -1.129471 -4.076128 -1.045737
C -5.122641 2.009240 1.164060
C 4.445687 1.722574 1.105630
C 4.299043 -0.440191 -0.035463
C 5.776926 1.440065 1.476573
C 5.627892 -0.720921 0.335488
C 6.373044 0.217057 1.092534
H 1.588002 -0.571603 -1.228198
H -2.627177 -1.094289 -1.899871
H -1.697646 2.387456 1.234254
H -0.131639 -2.009824 1.531976
H -4.070258 -1.087514 0.095862
H 1.934156 2.117522 0.342677
H -2.371342 -3.443979 -2.722907
H -3.803680 3.663926 1.697007
H 0.117636 -4.389851 0.718103
H -6.157536 0.174735 0.600442
H -1.012823 -5.101831 -1.412864
H -6.043710 2.559951 1.383930
H 3.984744 2.672909 1.400827
H 3.736250 -1.174852 -0.621937
H 6.347505 2.170025 2.060697
H 6.088616 -1.668715 0.036211
H 7.407008 -0.005113 1.378189


