%chk=000280393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280393

0 1
S -3.008630 -2.019097 -0.207957
O -3.964662 -2.745554 0.604946
O -2.774960 -2.428062 -1.566922
N -1.539668 -2.271509 0.714717
N -0.483450 -1.533064 0.301217
C -3.302755 -0.335247 -0.118183
C -3.807609 2.419939 0.023137
C -2.599641 0.550814 -0.944061
C -4.258410 0.159388 0.779746
C -2.849725 1.921412 -0.876540
C -4.512896 1.527111 0.851453
C -4.088342 3.883155 0.087765
C 4.146839 -0.084744 0.331940
C 3.042847 -0.939738 0.794729
C 3.960388 1.290955 0.116233
C 5.414825 -0.653370 0.114286
C 1.787240 -0.840596 0.331518
C 0.707554 -1.711126 0.813660
C 5.026869 2.083668 -0.316142
C 6.474307 0.143863 -0.322744
C 6.283706 1.513230 -0.538323
H -1.849362 0.168610 -1.646666
H -4.812782 -0.533452 1.425165
H -2.301200 2.603741 -1.523325
H -5.259093 1.904381 1.548229
H -4.891741 4.155405 -0.615710
H -4.414615 4.206990 1.086168
H -3.212921 4.493360 -0.175782
H -1.443463 -3.040396 1.393440
H 3.321124 -1.681803 1.547121
H 2.985706 1.741346 0.294160
H 5.568162 -1.718293 0.278544
H 1.509825 -0.111369 -0.436083
H 4.877107 3.149542 -0.480120
H 7.452523 -0.302031 -0.495958
H 0.975705 -2.455369 1.573911
H 7.111899 2.131911 -0.877069


%chk=000280393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280393

0 1
S -2.856206 -1.779511 -0.417677
O -3.836759 -2.882880 0.269183
O -2.349336 -1.907129 -1.957481
N -1.352755 -1.776448 0.834881
N -0.269472 -1.104562 0.352402
C -3.545215 -0.057911 -0.158088
C -4.612331 2.501958 0.197978
C -3.133889 0.957461 -1.034905
C -4.462095 0.136960 0.886642
C -3.680056 2.245227 -0.842244
C -4.992966 1.434012 1.054496
C -5.215704 3.883485 0.371417
C 4.604764 -0.266906 0.242745
C 3.386613 -0.967362 0.663989
C 4.599587 0.832558 -0.668025
C 5.860643 -0.700136 0.762108
C 2.093822 -0.681692 0.284829
C 0.956313 -1.447225 0.736854
C 5.800437 1.467571 -1.037404
C 7.062862 -0.063481 0.392087
C 7.039398 1.024956 -0.510578
H -2.423959 0.742670 -1.839245
H -4.757843 -0.696424 1.531709
H -3.376102 3.060691 -1.508392
H -5.712005 1.618056 1.860863
H -6.146091 3.981402 -0.220851
H -5.475298 4.084321 1.425187
H -4.525191 4.674026 0.030401
H -1.252785 -2.773157 1.142715
H 3.540987 -1.809136 1.356770
H 3.653437 1.188512 -1.090112
H 5.884885 -1.544866 1.462095
H 1.864685 0.148631 -0.393725
H 5.776492 2.309183 -1.738782
H 8.015526 -0.413980 0.804359
H 1.135006 -2.296690 1.426023
H 7.971300 1.521817 -0.801723


