%chk=000208621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208621

0 1
S 3.204468 1.801553 0.006630
O 3.526316 2.528105 1.232238
O 3.434948 2.431123 -1.288401
O -3.039482 -0.320703 -1.782897
N -2.547171 0.302272 0.387965
N 6.093589 -3.366063 0.091301
C 1.529896 1.354927 0.095678
C 4.054685 0.301199 0.031340
C 0.828255 1.005952 -1.062074
C 0.868985 1.375620 1.327960
C -1.172548 0.650889 0.245565
C -0.516437 0.645162 -0.998983
C -0.474918 1.022411 1.418757
C 4.387640 -0.339066 -1.169574
C 4.451887 -0.263533 1.250108
C 5.080920 -1.542986 -1.167754
C 5.146612 -1.466312 1.286612
C 5.459787 -2.121283 0.069459
C -3.412337 -0.148677 -0.643446
C -4.808339 -0.398095 -0.157993
C -5.328646 -1.696343 -0.235529
C -5.593924 0.657855 0.321861
C -6.639253 -1.939453 0.185546
C -6.904937 0.407849 0.736112
C -7.425657 -0.889462 0.671187
H 1.331513 1.024867 -2.035589
H 1.409682 1.683335 2.231859
H -1.055844 0.366343 -1.910798
H -0.973763 1.042020 2.383560
H 4.108996 0.121272 -2.125628
H 4.223352 0.255462 2.188871
H 5.326821 -2.034173 -2.104020
H 5.443627 -1.898195 2.236958
H -2.932171 0.377103 1.335065
H -4.716423 -2.508788 -0.630424
H -5.192006 1.670643 0.359927
H 6.547889 -3.670471 0.936150
H 6.499954 -3.724413 -0.756938
H -7.049132 -2.947481 0.128758
H -7.522938 1.225467 1.105861
H -8.448593 -1.081234 0.995622


%chk=000208621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208621

0 1
S 3.232937 1.790059 -0.251598
O 3.548923 2.736881 1.051403
O 3.449065 2.281309 -1.800879
O -3.276331 -0.449541 -1.825009
N -2.650407 0.279271 0.317982
N 6.572468 -3.233852 0.437835
C 1.414257 1.287423 -0.097979
C 4.233231 0.215933 -0.033994
C 0.715740 0.908633 -1.254213
C 0.808585 1.372888 1.165973
C -1.284185 0.610257 0.124017
C -0.646270 0.558244 -1.147642
C -0.550761 1.026790 1.271975
C 4.574395 -0.529023 -1.176557
C 4.673206 -0.129073 1.255823
C 5.356468 -1.686333 -1.016642
C 5.455285 -1.286793 1.413236
C 5.801777 -2.086976 0.280882
C -3.578685 -0.188352 -0.620660
C -4.976873 -0.388336 -0.093709
C -5.816123 -1.279564 -0.810787
C -5.495116 0.288165 1.043248
C -7.139047 -1.513608 -0.384533
C -6.822289 0.056682 1.466217
C -7.644835 -0.850138 0.758690
H 1.220122 0.910722 -2.226228
H 1.381901 1.728320 2.028217
H -1.219905 0.248091 -2.022078
H -1.049191 1.087036 2.247779
H 4.255469 -0.190019 -2.167943
H 4.429829 0.514242 2.108085
H 5.634874 -2.280893 -1.894459
H 5.810738 -1.572810 2.410007
H -2.983977 0.355498 1.281206
H -5.408947 -1.769081 -1.701306
H -4.896401 1.034543 1.580758
H 6.908398 -3.515948 1.354097
H 6.834746 -3.800178 -0.363719
H -7.776363 -2.208594 -0.941631
H -7.217390 0.591753 2.336417
H -8.674014 -1.028931 1.088625


