%chk=000179728.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179728

0 1
S -3.104018 -1.423768 -1.660442
O -0.593103 2.474678 0.267670
N -0.550762 -0.929221 1.317192
N -1.650459 0.648239 -0.710095
N -1.354918 -1.510473 0.355279
N -2.473196 1.491448 -1.490000
C 1.474989 -0.007788 0.038469
C 2.213968 1.297044 -0.316582
C 2.429850 -0.965174 0.780687
C 0.220207 0.289663 0.906850
C 3.459143 1.008528 -1.164827
C 3.673624 -1.261699 -0.069450
C 4.405525 0.030243 -0.456434
C -0.705955 1.280436 0.164761
C -1.936682 -0.747265 -0.525605
C -3.930040 -2.702620 -0.696999
H 1.141182 -0.499909 -0.908609
H 2.503331 1.834746 0.606992
H 1.543727 1.990060 -0.863931
H 1.918823 -1.915906 1.023228
H 2.738304 -0.519040 1.745833
H 0.535882 0.791735 1.864256
H 3.988234 1.955851 -1.382121
H 3.157918 0.596195 -2.147185
H 3.381107 -1.814894 -0.983048
H 4.356250 -1.930526 0.487597
H 5.266289 -0.204005 -1.109929
H 4.828734 0.507591 0.448266
H 0.073682 -1.656079 1.712800
H -2.424925 1.205827 -2.475197
H -3.453847 1.434025 -1.190527
H -4.490907 -2.284001 0.148147
H -3.212734 -3.434527 -0.294928
H -4.628822 -3.228315 -1.361519


%chk=000179728-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179728

0 1
S -3.176010 -1.359106 -1.566047
O -0.686906 2.741496 0.090496
N -0.713394 -0.514581 1.523227
N -1.848095 0.805717 -0.499180
N -1.503080 -1.284856 0.628154
N -2.718646 1.508441 -1.379106
C 1.316955 0.063896 0.029095
C 2.198816 1.259432 -0.416550
C 2.175427 -0.997890 0.766709
C 0.136486 0.555003 0.940846
C 3.399258 0.798191 -1.275770
C 3.379181 -1.456512 -0.091827
C 4.250668 -0.258889 -0.534922
C -0.816742 1.489004 0.182071
C -2.048501 -0.597445 -0.349560
C -3.068541 -3.131359 -0.932138
H 0.886273 -0.417110 -0.875686
H 2.576722 1.781092 0.488641
H 1.594426 2.001142 -0.970047
H 1.555883 -1.878844 1.026035
H 2.549880 -0.563930 1.719440
H 0.559646 1.138465 1.779618
H 4.022507 1.671919 -1.547720
H 3.025435 0.364156 -2.226483
H 3.001030 -1.985137 -0.991312
H 3.987002 -2.187456 0.476076
H 5.079797 -0.608017 -1.180253
H 4.713835 0.206701 0.359937
H -0.250582 -1.127202 2.199006
H -2.173370 2.133603 -1.987550
H -3.430736 2.030526 -0.849010
H -3.418223 -3.174283 0.108720
H -2.030526 -3.488746 -0.989449
H -3.725474 -3.716322 -1.594863


