%chk=000229195.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229195

0 1
S -0.942729 -2.539101 0.171401
O -1.579723 -2.922557 -1.058652
O -0.904875 -3.471587 1.278501
O 5.499961 -0.933967 -0.170566
O 4.778908 0.145092 -1.902363
N -1.796882 -0.107441 -0.005244
N -1.736132 -1.161994 0.873195
N 4.619366 -0.579242 -0.934923
C -2.443391 2.037143 -0.836850
C -1.250652 2.972707 -0.591115
C -2.540478 0.942753 0.202502
C -1.439650 3.876407 0.634411
C -3.494728 1.162474 1.352442
C -0.282243 4.860112 0.789576
C -4.824832 0.456466 1.103162
C 0.668568 -1.965565 -0.155315
C 1.710095 -2.335703 0.700152
C 0.904808 -1.150218 -1.264053
C 3.010126 -1.887318 0.449469
C 2.201051 -0.692518 -1.527461
C 3.236549 -1.067599 -0.663842
H -2.346441 1.585972 -1.849175
H -3.389985 2.613473 -0.863552
H -0.325127 2.373668 -0.476185
H -1.093509 3.597243 -1.493098
H -1.524549 3.255740 1.548081
H -2.393474 4.432942 0.551324
H -3.042923 0.817417 2.305636
H -3.669600 2.248839 1.503104
H 0.676983 4.342070 0.904910
H -0.417855 5.495531 1.672248
H -0.193083 5.522843 -0.078916
H -5.319446 0.839815 0.201172
H -4.703065 -0.624140 0.964051
H -5.515158 0.604644 1.942402
H -2.449992 -1.275330 1.608907
H 1.513057 -2.980819 1.567611
H 0.080279 -0.860839 -1.928985
H 3.841067 -2.166803 1.106526
H 2.408004 -0.051910 -2.391687


%chk=000229195-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229195

0 1
S -0.973468 -2.605726 -0.044849
O -1.606889 -2.840598 -1.524131
O -1.014710 -3.750010 1.110450
O 5.630405 -0.941221 0.160060
O 5.114743 -0.203111 -1.935841
N -1.842370 -0.005548 -0.055048
N -1.694030 -1.039207 0.861401
N 4.803814 -0.754217 -0.812047
C -2.628842 2.143359 -0.816772
C -1.463621 3.162837 -0.638895
C -2.617862 1.027049 0.213535
C -1.475739 3.944011 0.694937
C -3.469553 1.143533 1.470704
C -0.347147 4.994951 0.767876
C -4.870996 0.491725 1.282954
C 0.801891 -2.017296 -0.274480
C 1.702582 -2.223044 0.783202
C 1.144408 -1.428314 -1.502097
C 3.036885 -1.805082 0.602879
C 2.479074 -1.009203 -1.680689
C 3.394755 -1.201771 -0.623254
H -2.551404 1.697276 -1.824746
H -3.596369 2.679657 -0.757102
H -0.505430 2.615283 -0.736512
H -1.507468 3.884469 -1.479696
H -1.370319 3.237501 1.542322
H -2.457998 4.445736 0.819104
H -2.948270 0.675208 2.329298
H -3.603314 2.210617 1.719598
H 0.645442 4.516610 0.670310
H -0.365236 5.542024 1.728058
H -0.442322 5.737688 -0.046526
H -5.423969 0.978449 0.459970
H -4.800312 -0.584906 1.041102
H -5.469782 0.593928 2.205202
H -2.551474 -1.400207 1.338767
H 1.371254 -2.708614 1.706199
H 0.393488 -1.317761 -2.289621
H 3.791844 -1.935837 1.381969
H 2.816609 -0.541538 -2.608793


