%chk=000200818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200818

0 1
S 0.443983 -1.775802 0.053582
O 0.243431 -2.926063 -0.809571
O 1.003616 -1.955655 1.367171
O 2.321113 2.358167 0.358983
N 1.623481 -0.894672 -0.909680
N -4.400622 1.559462 0.191312
N 1.589006 1.171042 0.364919
C -0.937143 -0.798042 0.087690
C -1.929347 -0.949245 -0.897876
C -1.113545 0.158554 1.105033
C -3.243529 0.796754 0.144000
C -3.073068 -0.168609 -0.885963
C -2.249918 0.952614 1.144134
C 2.109497 0.366783 -0.599831
C 3.216836 1.056916 -1.261070
C 3.296089 2.265575 -0.630047
H 2.105895 -1.382227 -1.675792
H -1.797549 -1.702950 -1.685282
H -0.341738 0.279186 1.879442
H -3.834026 -0.298240 -1.649014
H -2.371396 1.688500 1.933795
H 3.813470 0.662797 -2.057184
H -5.057961 1.545235 -0.567733
H -4.486319 2.322355 0.839444
H 3.915845 3.133565 -0.712962


%chk=000200818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200818

0 1
S 0.485968 -1.505978 -0.136103
O 0.295045 -2.841608 -1.047361
O 1.211195 -1.553832 1.314547
O 2.937685 2.383849 0.396121
N 1.535597 -0.409198 -1.337836
N -4.832145 1.311741 0.331554
N 1.821562 1.485567 0.095434
C -1.133053 -0.614142 -0.002990
C -2.187021 -1.041607 -0.831438
C -1.258603 0.435394 0.926789
C -3.604889 0.672851 0.218331
C -3.428632 -0.396116 -0.714325
C -2.502728 1.075526 1.035537
C 2.343134 0.593246 -0.800128
C 3.730494 0.876280 -1.112859
C 4.039475 1.989841 -0.362774
H 1.997416 -1.078303 -1.972671
H -2.036908 -1.869190 -1.531880
H -0.403821 0.747829 1.533489
H -4.267920 -0.715476 -1.342396
H -2.626081 1.898157 1.748695
H 4.378559 0.324660 -1.788963
H -5.621539 1.034965 -0.245308
H -4.965510 2.072841 0.991522
H 4.938820 2.588702 -0.237487


