%chk=000299235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299235

0 1
S 3.125807 1.590410 0.049095
S -1.473219 0.402897 -2.072915
O -1.195343 -1.022773 0.148613
N -2.982021 0.384271 0.160265
N 0.828750 0.179983 0.076290
N 2.930251 -1.044943 0.062790
C -3.295423 -0.109562 1.519007
C -3.971689 1.276506 -0.488453
C -1.908037 -0.031563 -0.547103
C 0.185597 -1.018300 0.051168
C 0.835233 -2.263530 0.052718
C 2.195056 0.108518 0.061448
C 2.238458 -2.216356 0.062126
C 1.878634 2.878890 -0.095243
H -3.519340 0.736259 2.191932
H -2.435167 -0.661438 1.947525
H -4.161093 -0.794349 1.501513
H -4.413396 0.797228 -1.384294
H -3.482583 2.213217 -0.825069
H -4.783988 1.537552 0.206229
H 0.279194 -3.194772 0.028579
H 2.840266 -3.134933 0.062237
H 1.263053 2.959069 0.809948
H 1.189492 2.693818 -0.935485
H 2.394009 3.831701 -0.267420


%chk=000299235-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299235

0 1
S 3.259137 1.590082 -0.000961
S -1.537489 0.491772 -2.135317
O -1.169347 -0.954711 0.187842
N -3.052657 0.355274 0.143542
N 0.911328 0.171978 0.099013
N 2.996013 -1.086865 0.035840
C -3.314025 -0.037313 1.544577
C -4.060990 1.210391 -0.514268
C -1.934422 0.001305 -0.557816
C 0.230152 -0.991845 0.079741
C 0.852300 -2.257588 0.052875
C 2.271695 0.074049 0.050856
C 2.266636 -2.239530 0.045459
C 1.888481 2.877546 -0.080839
H -3.505283 0.865150 2.153699
H -2.445781 -0.570544 1.950757
H -4.199300 -0.698333 1.599645
H -4.289045 0.821394 -1.520902
H -3.683564 2.242607 -0.632424
H -4.974605 1.217827 0.102033
H 0.272610 -3.180939 0.031389
H 2.841817 -3.171055 0.035366
H 1.322889 2.882154 0.861185
H 1.215352 2.645321 -0.917888
H 2.400600 3.839677 -0.237902


