%chk=000295696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295696

0 1
S -3.641863 2.366815 -0.539744
O 0.188046 -3.885124 -0.632359
O 2.586316 1.566889 1.049009
O 2.463774 -0.401668 -0.043687
N -0.581033 -1.427749 0.587246
N -1.879646 0.390646 -0.072913
N -1.142708 2.690425 0.216723
C 0.607869 -2.184560 1.062374
C -1.611413 -2.354066 0.025805
C 1.198561 -3.003442 -0.097281
C -0.980397 -3.186954 -1.104736
C -0.606176 -0.085342 0.293714
C 0.455373 0.863354 0.437067
C 0.097744 2.243748 0.461590
C 1.878674 0.553639 0.429050
C -2.077518 1.717434 -0.095632
C 4.047525 1.499597 1.015684
C 4.550581 1.953489 -0.338345
C -4.642575 0.909626 -0.876948
H 0.255731 -2.868633 1.872518
H 1.370350 -1.526691 1.525037
H -2.505418 -1.800454 -0.342703
H -1.961446 -3.013767 0.852045
H 1.978606 -3.708567 0.238948
H 1.597700 -2.352890 -0.899611
H -0.704106 -2.562588 -1.972863
H -1.637231 -4.015203 -1.426468
H 0.871258 3.002971 0.672555
H 4.302444 2.197354 1.834448
H 4.359595 0.469303 1.262411
H 5.642136 2.055502 -0.347708
H 4.280068 1.232615 -1.124773
H 4.121717 2.921993 -0.625933
H -5.652362 1.250487 -1.141026
H -4.711425 0.247064 -0.003590
H -4.240351 0.318351 -1.710003


%chk=000295696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295696

0 1
S -3.736424 2.446452 -0.325791
O 0.089147 -4.156867 -0.365520
O 2.661772 1.621852 1.040214
O 2.409579 -0.386543 -0.119524
N -0.513425 -1.414102 0.295631
N -1.879780 0.446574 -0.036618
N -1.231699 2.711845 0.575544
C 0.475221 -2.187761 1.081903
C -1.560754 -2.286862 -0.290500
C 1.124165 -3.264508 0.193230
C -0.880184 -3.375001 -1.148354
C -0.624799 -0.042737 0.271803
C 0.439995 0.899556 0.566664
C 0.030107 2.252142 0.762842
C 1.885389 0.607240 0.457605
C -2.112904 1.765003 0.104938
C 4.140135 1.517562 0.849128
C 4.562172 2.137892 -0.485850
C -4.630208 0.894225 -0.892856
H -0.076765 -2.686875 1.906335
H 1.239954 -1.534618 1.516584
H -2.244935 -1.668040 -0.890214
H -2.143147 -2.762896 0.524531
H 1.785080 -3.919054 0.783928
H 1.698608 -2.774151 -0.616192
H -0.371906 -2.901398 -2.015654
H -1.625013 -4.103394 -1.509581
H 0.781130 2.993412 1.048304
H 4.548437 2.069144 1.711059
H 4.428343 0.453253 0.905203
H 5.664610 2.120968 -0.572207
H 4.142673 1.568362 -1.332018
H 4.226862 3.186850 -0.558206
H -5.665131 1.208341 -1.099824
H -4.602055 0.139210 -0.094488
H -4.155849 0.498530 -1.802149


